SCHEMBL306417

SCHEMBL306417

O=S(=O)([O-])c1ccc(O)c(Cl)c1.[Na+]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
PTGS1 known ✓ P23219 2/20 0.50
PTGS2 known ✓ P35354 1/20 0.50
CA2 known ✓ P00918 3/20 0.43
CA1 known ✓ P00915 2/20 0.43
THRB known ✓ P10828 1/20 0.43
CA12 known ✓ O43570 1/20 0.42
CA4 known ✓ P22748 1/20 0.42
POLB P06746 2/20 0.47
APOBEC3A P31941 1/20 0.47
CASP6 P55212 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PTPN1 P18031 3/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD17B3 P37058 1/20 0.46
HSD17B2 P37059 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL29598983 0.83 GAA (0.57) PTGS1PTGS2POLBTSHRHSD17B10
SCHEMBL9341624 0.83 GAA (0.57) PTGS1PTGS2POLBTSHRHSD17B10
SCHEMBL68932 0.83 GAA (0.57) PTGS1PTGS2POLBTSHRHSD17B10
SCHEMBL306418 0.81 ALDH1A1 (0.59) PTGS1PTGS2POLBCASP6KMT2A
SCHEMBL2649250 0.81 PTGS1 (0.51) PTGS1PTGS2POLBTSHRHSD17B10
SCHEMBL1803937 0.81 PTGS1 (0.66) PTGS1PTGS2KMT2ACA2CA1
SCHEMBL1807429 0.81 ALDH1A1 (0.59) PTGS1PTGS2POLBCASP6KMT2A
SCHEMBL126575 0.80 LMNA (0.50) PTGS1PTGS2HSD17B10LMNATDP1
SCHEMBL9492659 0.80 SERPINE1 (0.59) PTGS1PTGS2POLBAPOBEC3ACASP6
SCHEMBL11882785 0.79 HSD17B3 (0.50) PTGS1PTGS2POLBTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104678111-A Method, reagent and kit for quantitatively detecting low-density lipoprotein cholesterol ZHEJIANG KAICHENG BIOTECHNOLOGY CO LTD 2015-06-03 CN disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
EP-1753732-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS Sterix Limited (GB) 2007-02-21 EP disclosed
WO-2005118560-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2005-12-15 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 (4 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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 PTGS1 298/4885PTGS2 558/4885CA2 286/4885
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 PTGS1 985/4885PTGS2 1326/4885CA2 502/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 PTGS1 2922/4885PTGS2 2885/4885CA2 1559/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 PTGS1 298/4885PTGS2 558/4885CA2 286/4885

“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.