SCHEMBL31385380

SCHEMBL31385380

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

nearest known ligand 0.59

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
CA12 known ✓ O43570 5/20 0.59
CA1 known ✓ P00915 5/20 0.59
CA2 known ✓ P00918 5/20 0.59
XDH known ✓ P47989 2/20 0.59
CA9 Q16790 5/20 0.59
CA14 Q9ULX7 4/20 0.59
CA7 P43166 2/20 0.59
VCAM1 P19320 1/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL31385379 1.00 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL31385223 0.86 KDM4E (0.48) CA12CA1CA2CA9CA14
SCHEMBL3341066 0.84 KDM4E (0.51) CA12CA1CA2CA9CA14
SCHEMBL31385177 0.83 CA2 (0.62) CA12CA1CA2CA9CA14
SCHEMBL31385293 0.83 CA1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL1868221 0.81 KDM4E (0.55) CA12CA1CA2CA9CA14
SCHEMBL31385230 0.80 CA1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL31385312 0.79 ESR1 (0.58) SMN1; SMN2LMNASTSCYP2C9CYP1A2
Potassium Ion SCHEMBL1863797 0.77 KDM4E (0.55) CA12CA1CA2CA9CA14
SCHEMBL4605912 0.77 KDM4E (0.55) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025038907-A1 PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC (US) 2025-02-20 WO disclosed