Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1732246

COc1nc(OCC2CCCN2)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.Cl

nearest known ligand 0.57

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 1)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.57

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 SCHEMBL1732244 1.00 CCR4 (0.57) CCR4
SCHEMBL1733269 0.99 CCR4 (0.58) CCR4
SCHEMBL1733268 0.99 CCR4 (0.58) CCR4
Hydrochloric Acid SCHEMBL7112082 0.87 CCR4 (0.67) CCR4
Hydrochloric Acid SCHEMBL1732036 0.87 CCR4 (0.67) CCR4
SCHEMBL1733701 0.86 CCR4 (0.68) CCR4
SCHEMBL1733088 0.81 CCR4 (0.62) CCR4
SCHEMBL1733087 0.81 CCR4 (0.62) CCR4
SCHEMBL1732229 0.80 CCR4 (0.77) CCR4
SCHEMBL1731557 0.79 CCR4 (0.78) CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081670-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES BAXTER ANDREW 2010-04-01 US claimed
US-20060025423-A1 N-pyrazinyl-phenylsulphonamides and their use in the treatment of chemokine mediated diseases ASTRAZENECA AB (SE) 2006-02-02 US claimed
EP-1467976-B1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2011-11-23 EP disclosed
WO-2011081310-A3 PEPTIDE MARKER FOR CANCER DIAGNOSIS, AND CANCER DIAGNOSIS METHOD USING SAME 한국기초과학지원연구원 (KR) 2011-10-27 WO disclosed
US-20100081670-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES BAXTER ANDREW 2010-04-01 US disclosed
US-7662825-B2 2,3-Dichloro-N-(3-methoxy-5-methyl-2-pyrazinyl)-benzenesulphonamide; inflammatory diseases, such as asthma ASTRAZENECA AB (SE) 2010-02-16 US disclosed
US-20060025423-A1 N-pyrazinyl-phenylsulphonamides and their use in the treatment of chemokine mediated diseases ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1467976-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2004-10-20 EP disclosed
WO-2003059893-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-07-24 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-20060025423-A1 N-pyrazinyl-phenylsulphonamides and their use in the treatment of chemokine mediated diseases CCL11, CCL2, CCR2 CCR4 20/4885
US-20100081670-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES CCL11, CCL2, CCR2 CCR4 20/4885

“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.