SCHEMBL115279

SCHEMBL115279

O=S(=O)([O-])C(O)c1ccncc1.[Na+]

nearest known ligand 0.38

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
PTGS2 known ✓ P35354 4/20 0.31
PTGS1 known ✓ P23219 2/20 0.31
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TSSK1B Q9BXA7 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP2C19 P33261 1/20 0.34
NAPRT Q6XQN6 1/20 0.32
HPGD P15428 1/20 0.32
GRM8 O00222 1/20 0.31
GRM4 Q14833 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL3134012 0.78 ALDH1A1 (0.45) KDM4ETSSK1BCYP2C19HPGDALDH1A1
SCHEMBL7829339 0.78 HSD17B10 (0.40) HSD17B10KDM4ECYP3A4CYP19A1CYP17A1
SCHEMBL115280 0.77 HSD17B10 (0.39) HSD17B10KDM4ECYP3A4CYP19A1CYP17A1
SCHEMBL11292694 0.75 CYP3A4 (0.39) CYP3A4CYP19A1SLC6A2SLC6A4SLC6A3
Potassium Ion SCHEMBL8396295 0.71 CYP3A4 (0.39) CYP3A4CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL30570002 0.71 MAOA (0.34) CYP3A4TSSK1BNAPRTPTGS2PTGS1
Sulfuric Acid SCHEMBL28017920 0.69 CYP3A4 (0.44) HSD17B10KDM4ECYP3A4SLC6A2SLC6A4
SCHEMBL23882826 0.67 CYP3A4 (0.50) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL23882753 0.67 CYP3A4 (0.50) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL20710609 0.66 CYP3A4 (0.48) HSD17B10KDM4ECYP3A4CYP19A1CYP17A1

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
US-20250197391-A1 METHODS OF SYNTHESIZING EGFR INHIBITORS ANTARES THERAPEUTICS, INC. 2025-06-19 US disclosed
EP-4499635-A1 METHODS OF SYNTHESIZING EGFR INHIBITORS Scorpion Therapeutics, Inc. (US) 2025-02-05 EP disclosed
WO-2023183601-A1 METHODS OF SYNTHESIZING EGFR INHIBITORS SCORPION THERAPEUTICS, INC. (US) 2023-09-28 WO disclosed
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
EP-2424856-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 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 (3 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-20250197391-A1 METHODS OF SYNTHESIZING EGFR INHIBITORS ERBB2, EGFR, ERBB3 PTGS2 934/4885PTGS1 971/4885HSD17B10 2751/4885
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PTGS2 2157/4885PTGS1 1400/4885HSD17B10 2491/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PTGS2 2157/4885PTGS1 1400/4885HSD17B10 2491/4885

“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.