SCHEMBL4110670

SCHEMBL4110670

O=C(Nc1cccc2ccc(S(=O)(=O)[O-])cc12)c1ccccc1.[Na+]

nearest known ligand 0.62

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
▸ FGF1 known ✓ P05230 1/20 0.62
▸ ALOX5 known ✓ P09917 1/20 0.48
▸ CYP3A4 P08684 4/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CCR8 P51685 1/20 0.52
▸ TRPV1 Q8NER1 2/20 0.51
▸ KMT2A Q03164 6/20 0.48
▸ POLB P06746 4/20 0.48
▸ BLM P54132 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ LMNA P02545 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ MAPT P10636 3/20 0.47

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
SCHEMBL4119546 0.90 FGF1 (0.76) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL1339220 0.88 NPC1 (0.64) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL4110673 0.87 NPC1 (0.62) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL1339180 0.87 NPC1 (0.62) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL4103360 0.82 CASP6 (0.60) CYP1A2FGF1TRPV1KMT2APOLB
SCHEMBL6242889 0.80 CASP6 (0.57) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5694477 0.79 TRPV1 (0.77) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL1339460 0.79 MIF (0.55) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL10904449 0.79 APEX1 (0.62) CYP3A4NPC1RAB9ACYP1A2CYP2C9
SCHEMBL4642544 0.78 NPC1 (1.00) CYP3A4NPC1RAB9ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 — — US disclosed
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives ITALFARMACO, S.A. (ES) 2006-07-20 — — US disclosed
EP-1602644-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES Italfarmaco, S.A. (ES) 2005-12-07 — — EP 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-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES SUCNR1, NR1H4, CYP2B6 FGF1 1378/4885ALOX5 2834/4885CYP3A4 328/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 FGF1 1320/4885ALOX5 2925/4885CYP3A4 399/4885

“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.

Send feedback