Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1847829

Cc1ccccc1[S].Cl.F.F.F.F

nearest known ligand 0.50

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 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.50
CA2 known ✓ P00918 2/20 0.39
ESR1 known ✓ P03372 1/20 0.33
TSHR P16473 4/20 0.50
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
Fluoride SCHEMBL1335989 0.97 TSHR (0.53) TSHRACHECYP3A4TDP1ALDH1A1
Fluoride SCHEMBL4456415 0.97 TSHR (0.53) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL127631 0.94
Hydrochloric Acid SCHEMBL1845749 0.78 TRPA1 (0.44) TSHRACHECYP3A4TDP1ALDH1A1
Fluoride SCHEMBL6232004 0.74 TRPA1 (0.46) TSHRACHECYP3A4ALDH1A1CA1
Fluoride SCHEMBL946250 0.74 TRPA1 (0.46) TSHRACHECYP3A4ALDH1A1CA1
O-Xylene SCHEMBL577141 0.73 TSHR (0.91) TSHRACHECYP3A4TDP1ALDH1A1
O-Xylene SCHEMBL15021872 0.73 TSHR (0.91) TSHRACHECYP3A4TDP1ALDH1A1
O-Xylene SCHEMBL7935899 0.73
O-Xylene SCHEMBL577140 0.73

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675785-B1 INDUSTRIAL METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2018-04-11 EP disclosed
US-9676710-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-9630920-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2017-04-25 US disclosed
US-9630919-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2017-04-25 US disclosed
US-20160362366-A1 Industrial Methods for Producing Arylsulfur Pentafluorides UBE CORPORATION (JP) 2016-12-15 US disclosed
US-20160362367-A1 Industrial Methods for Producing Arylsulfur Pentafluorides UBE CORPORATION (JP) 2016-12-15 US disclosed
US-20160362365-A1 Industrial Methods for Producing Arylsulfur Pentafluorides UBE CORPORATION (JP) 2016-12-15 US disclosed
US-9447034-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2016-09-20 US disclosed
US-20150315139-A1 Industrial Methods for Producing Arylsulfur Pentafluorides UBE CORPORATION (JP) 2015-11-05 US disclosed
US-9108910-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2015-08-18 US disclosed
US-20130324765-A1 Industrial Methods for Producing Arylsulfur Pentafluorides UBE INDUSTRIES, LTD. (JP) 2013-12-05 US disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 WO disclosed
WO-2010014665-A1 METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2010-02-04 WO disclosed
WO-2009114409-A2 FLUORINATION PROCESSES WITH ARYLSULFUR HALOTETRAFLUORIDES IM & T RESEARCH, INC. (US) 2009-09-17 WO 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 (7 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-20130324765-A1 Industrial Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, CYP2F1 ACHE 949/4885CA2 2975/4885ESR1 4622/4885
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS ACHE 1499/4885CA2 4597/4885ESR1 4873/4885
US-20150315139-A1 Industrial Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, CYP2F1 ACHE 949/4885CA2 2975/4885ESR1 4622/4885
US-20160362367-A1 Industrial Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, CYP2F1 ACHE 949/4885CA2 2975/4885ESR1 4622/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS ACHE 808/4885CA2 4787/4885ESR1 4667/4885
US-20160362365-A1 Industrial Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, CYP2F1 ACHE 949/4885CA2 2975/4885ESR1 4622/4885
US-20160362366-A1 Industrial Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, CYP2F1 ACHE 949/4885CA2 2975/4885ESR1 4622/4885

“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.