SCHEMBL3504100

SCHEMBL3504100

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

nearest known ligand 0.34

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 4)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.31
CA1 known ✓ P00915 1/20 0.30
EPHX2 P34913 1/20 0.34
CA9 Q16790 1/20 0.30

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
SCHEMBL10590225 0.84 EPHX2 (0.57) EPHX2
SCHEMBL1298433 0.83 CNR1 (0.33) EPHX2
SCHEMBL9875582 0.83 CNR1 (0.33) EPHX2
SCHEMBL4537873 0.82 CA1 (0.44) CA1CA9
SCHEMBL4537871 0.82 CA1 (0.44) CA1CA9
SCHEMBL9150029 0.80 CNR1 (0.34)
SCHEMBL18091460 0.80 CNR1 (0.34)
SCHEMBL10589258 0.79 FAAH (0.48) EPHX2
SCHEMBL2385059 0.79 FAAH (0.48) EPHX2
SCHEMBL1963109 0.79 FAAH (0.48) EPHX2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851581-B2 Film forming composition with spreading properties MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-12-14 US disclosed
EP-2088858-A1 FILM FORMING COMPOSITION WITH SPREADING PROPERTIES Momentive Performance Materials Inc. (US) 2009-08-19 EP disclosed
EP-1383470-B1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2009-06-17 EP disclosed
US-20080317796-A1 HAIR CARE COSMETIC COMPOSITION GE TOSHIBA SILICONES CO., LTD. 2008-12-25 US disclosed
US-20080107696-A1 FILM FORMING COMPOSITION WITH SPREADING PROPERTIES MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-05-08 US disclosed
WO-2008024308-A2 FILM FORMING COMPOSITION WITH SPREADING PROPERTIES MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-02-28 WO disclosed
EP-1383469-B1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2006-02-15 EP disclosed
EP-1380282-B1 COSMETIC HAIR PREPARATION COMPOSITION GE TOSHIBA SILICONES CO LTD (JP) 2005-11-30 EP disclosed
EP-1383860-B1 FABRIC CARE COMPOSITIONS UNILEVER PLC (GB) 2005-10-12 EP disclosed
US-6767883-B2 Fabric care compositions UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. 2004-07-27 US disclosed
EP-1383469-A1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2004-01-28 EP disclosed
EP-1383468-A2 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2004-01-28 EP disclosed
EP-1380282-A1 COSMETIC HAIR PREPARATION COMPOSITION GE TOSHIBA SILICONES CO., LTD. (JP) 2004-01-14 EP disclosed
US-20030095943-A1 Hair treatment compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-05-22 US disclosed
US-20030012757-A1 Hair treatment compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-01-16 US disclosed
US-20020192367-A1 Fabric care compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-12-19 US disclosed
WO-2002087523-A2 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2002-11-07 WO disclosed
WO-2002088293-A1 FABRIC CARE COMPOSITIONS UNILEVER PLC (GB) 2002-11-07 WO disclosed
WO-2002087525-A1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2002-11-07 WO disclosed
WO-2002087522-A2 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2002-11-07 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-20080317796-A1 HAIR CARE COSMETIC COMPOSITION H1-0, H1-4, H1-2 CA2 2603/4885CA1 1819/4885EPHX2 2493/4885
US-20030095943-A1 Hair treatment compositions SPTLC3, HACD3, C18orf63 CA2 2912/4885CA1 1000/4885EPHX2 2527/4885

“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.