Hydrochloric Acid

Hydrochloric Acid

SCHEMBL643490

C[C@H](CSC(=O)c1ccccc1)C(=O)O.Cl

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 20)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 2/20 0.47
ADRA2A known ✓ P08913 1/20 0.39
ADRA2B known ✓ P18089 1/20 0.39
HTR2A known ✓ P28223 1/20 0.39
HRH1 known ✓ P35367 1/20 0.39
KCNH2 known ✓ Q12809 1/20 0.39
GPR139 Q6DWJ6 1/20 0.49
KMT2A Q03164 3/20 0.47
MME P08473 2/20 0.44
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
PGR P06401 1/20 0.39
PTPN1 P18031 1/20 0.38
GSK3B P49841 1/20 0.38

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
Hydrochloric Acid SCHEMBL7450354 1.00 GPR139 (0.49) GPR139KMT2AACEMMEAPAF1
SCHEMBL5695631 0.98 GPR139 (0.50) GPR139KMT2AACEMMEAPAF1
SCHEMBL7897731 0.98 GPR139 (0.50) GPR139KMT2AACEMMEAPAF1
SCHEMBL1356206 0.98 GPR139 (0.50) GPR139KMT2AACEMMEAPAF1
SCHEMBL7898278 0.84 KMT2A (0.49) GPR139KMT2AACEMMEALDH1A1
SCHEMBL643489 0.84 KMT2A (0.49) GPR139KMT2AACEMMEALDH1A1
SCHEMBL644595 0.84 KMT2A (0.49) GPR139KMT2AACEMMEALDH1A1
SCHEMBL6057191 0.83 GPR139 (0.53) GPR139KMT2AACEMMEALDH1A1
SCHEMBL10636225 0.82 PARP1 (0.45) GPR139KMT2AHPGDSMN1; SMN2
SCHEMBL10636240 0.82 AKR1C3 (0.47) ACEMMEALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899297-B1 ZOFENOPRIL CALCIUM IN POLYMORPH FORM C GENERICS UK LTD (GB) 2015-12-09 EP disclosed
EP-2173710-B1 NOVEL CRYSTALLINE FORM GENERICS UK LTD (GB) 2015-09-16 EP disclosed
US-8710241-B2 Crystalline form of zofenopril calcium Generics [UK]Limited (GB) 2014-04-29 US disclosed
US-8119662-B2 Zofenopril calcium in polymorph form C for dosage form preparation; (4S)-1-[(2S)-3-(benzoylthio)-2-methylpropionyl]-4-(phenylthio)-L-proline calcium salt; salt formation; cardiovascular diseases GENERICS [UK] LIMITED (GB) 2012-02-21 US disclosed
US-20110098334-A1 NOVEL CRYSTALLINE FORM OF CALCIUM ZOFENOPRIL GENERICS [UK] LIMITED (GB) 2011-04-28 US disclosed
EP-2173710-A1 NOVEL CRYSTALLINE FORM Generics Ýuk¨Limited (GB) 2010-04-14 EP disclosed
WO-2009022168-A1 NOVEL CRYSTALLINE FORM GENERICS [UK] LIMITED (GB) 2009-02-19 WO disclosed
US-20080182888-A1 Novel Crystalline Compounds TIANISH LABORATORIES PRIVATE LIMITED (IN) 2008-07-31 US disclosed
EP-1899297-A1 ZOFENOPRIL CALCIUM IN POLYMORPH FORM C Merck Generics (UK) Limited (GB) 2008-03-19 EP disclosed
WO-2007003963-A1 ZOFENOPRIL CALCIUM IN POLYMORPH FORM C GENERICS [UK] LIMITED (GB) 2007-01-11 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 (2 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-20080182888-A1 Novel Crystalline Compounds REN, CACNA1S, SLC6A7 ACE 6/4885ADRA2A 3256/4885ADRA2B 2842/4885
US-20110098334-A1 NOVEL CRYSTALLINE FORM OF CALCIUM ZOFENOPRIL REN, CACNA1S, CA2 ACE 9/4885ADRA2A 3149/4885ADRA2B 2814/4885

“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.