Hydrochloric Acid

Hydrochloric Acid

SCHEMBL965472

CCCCC(S)CCCC.Cl

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 known ✓ P45452 1/20 0.39
OPRM1 known ✓ P35372 1/20 0.35
CA2 known ✓ P00918 2/20 0.35
DNM1 Q05193 2/20 0.43
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
FDPS P14324 1/20 0.36
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL384819 0.97 DNM1 (0.45) DNM1MMP13TSHRALDH1A1TDP1
Iodide SCHEMBL6383667 0.93 DNM1 (0.43) DNM1MMP13TSHRALDH1A1TDP1
SCHEMBL10942066 0.93 DNM1 (0.43) DNM1MMP13TSHRALDH1A1TDP1
SCHEMBL10941450 0.93 DNM1 (0.43) DNM1MMP13TSHRALDH1A1TDP1
SCHEMBL10947406 0.93 DNM1 (0.43) DNM1MMP13TSHRALDH1A1TDP1
Water SCHEMBL7551987 0.93 DNM1 (0.43) DNM1MMP13TSHRALDH1A1TDP1
Bromide SCHEMBL3385366 0.93 DNM1 (0.43) DNM1MMP13TSHRALDH1A1TDP1
SCHEMBL14491205 0.90 DNM1 (0.48) DNM1MMP13TSHRLMNAFDPS
SCHEMBL1904191 0.90 DNM1 (0.48) DNM1MMP13TSHRLMNAFDPS
SCHEMBL3177291 0.90

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015442-A1 SULFONE COMPOUND AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-20 US disclosed
US-20110015441-A1 SULFONE COMPOUND AND PROCESS FOR PRODUCING CAROTENOID USING THE SAME COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-20 US disclosed
EP-1477477-B1 PROCESS FOR PREPARATION OF CAROTENOIDS SUMITOMO CHEMICAL CO (JP) 2010-12-22 EP disclosed
EP-2261204-A1 SULFONE COMPOUND AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-12-15 EP disclosed
EP-2253613-A1 SULFONE COMPOUND AND CAROTENOID MANUFACTURING METHOD USING SAID COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-11-24 EP disclosed
EP-1477477-A1 PROCESS FOR PREPARATION OF CAROTENOIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-17 EP disclosed
US-20040204612-A1 Process for preparation of carotenoids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-10-14 US disclosed
EP-1199303-B1 Process for producing retinol and intermediate compounds for producing the same SUMITOMO CHEMICAL CO (JP) 2004-09-22 EP disclosed
US-6784321-B2 1-((2-ARYLSULFONYL)(3-METHYL)(5-OXY)PENT-3-ENE)-2,6,6-TRIMETHY LCYCLOHEX-1-ENE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-08-31 US disclosed
US-20040082814-A1 Process for producing retinol and intermediate compounds for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-04-29 US disclosed
EP-1199303-A1 Process for producing retinol and intermediate compounds for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-24 EP disclosed
US-6348622-B1 CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
US-6297402-B1 CHEMICAL INTERMEDIATES FOR ASTAXANTHINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-02 US disclosed
US-20010025127-A1 Dihalo-compound and process for producing vitamin A derivative SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-09-27 US disclosed
EP-1120398-A2 Dihalo-compound and process for producing vitamin A derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed
US-6211411-B1 SULFONE ALDEHYDE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-03 US disclosed
US-6172265-B1 DRUG; FOOD OR FEED ADJUVANT; CHEMICAL INTERMEDIATE FOR CANTHAXANTHIN SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-01-09 US disclosed
US-6160181-A Tetraene derivative and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0983998-A1 Tetraene derivative and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-08 EP disclosed
EP-0900785-A2 Vitamin A related compounds and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040204612-A1 Process for preparation of carotenoids SCLY, RPS4Y1, ENY2 MMP13 3291/4885OPRM1 2190/4885CA2 4071/4885
US-20110015442-A1 SULFONE COMPOUND AND METHOD FOR PRODUCING THE SAME MSRB3, HCN4, SULT1E1 MMP13 3506/4885OPRM1 284/4885CA2 151/4885
US-20040082814-A1 Process for producing retinol and intermediate compounds for producing the same ADH4, ADH1B, ADH7 MMP13 2456/4885OPRM1 2429/4885CA2 4542/4885
US-20010025127-A1 Dihalo-compound and process for producing vitamin A derivative CYP2R1, CYP24A1, VDR MMP13 3974/4885OPRM1 3223/4885CA2 2226/4885
US-20110015441-A1 SULFONE COMPOUND AND PROCESS FOR PRODUCING CAROTENOID USING THE SAME COMPOUND SCLY, ENY2, ZYX MMP13 1971/4885OPRM1 2747/4885CA2 835/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.