SCHEMBL5154099

SCHEMBL5154099

C=CCCCC(CC)COS(=O)(=O)[O-].[Na+]

nearest known ligand 0.39

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
CA2 known ✓ P00918 2/20 0.32
CA12 known ✓ O43570 1/20 0.32
CA1 known ✓ P00915 1/20 0.32
TSHR P16473 4/20 0.39
RECQL P46063 3/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
BLM P54132 1/20 0.35
CYP3A4 P08684 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
Ethasulfuric Acid SCHEMBL30312334 0.82 CYP3A4 (0.50) TSHRRECQLHPGDGLAMAPK1
Ethasulfuric Acid SCHEMBL57666 0.82 CYP3A4 (0.50) TSHRRECQLHPGDGLAMAPK1
Ethasulfuric Acid SCHEMBL27915134 0.80 CYP3A4 (0.49) TSHRRECQLHPGDGLAMAPK1
Ethasulfuric Acid SCHEMBL17456529 0.78 CYP3A4 (0.50) TSHRRECQLHPGDGLAMAPK1
Ethasulfuric Acid SCHEMBL4595626 0.78 CYP3A4 (0.50) TSHRRECQLHPGDGLAMAPK1
Ethasulfuric Acid SCHEMBL2293348 0.78 CYP3A4 (0.50) TSHRRECQLHPGDGLAMAPK1
SCHEMBL27224578 0.78 CA2 (0.52) TSHRRECQLHPGDGLAMAPK1
SCHEMBL27224580 0.77 RECQL (0.43) TSHRRECQLHPGDGLAMAPK1
SCHEMBL9911084 0.75 ALDH1A1 (0.35) TSHRRECQLHPGDCYP3A4CA2
Ethasulfuric Acid SCHEMBL23387498 0.74 RECQL (0.67) TSHRRECQLHPGDGLAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660696-B2 LIPSTICKS PROCTER & GAMBLE (US) 2007-01-10 EP disclosed
EP-0950392-B1 Non-sweating lipsticks PROCTER & GAMBLE (US) 2004-12-29 EP disclosed
US-20020058051-A1 SKIN CARE COMPOSITIONS NAWAZ ZAHID (GB) 2002-05-16 US disclosed
EP-0906077-A4 SKIN CARE COMPOSITIONS PROCTER & GAMBLE (US) 2001-12-12 EP disclosed
US-6325995-B1 Lipsticks compositions containing association structures THE PROCTER & GAMBLE COMPANY 2001-12-04 US disclosed
EP-0884996-A4 SKIN CARE COMPOSITIONS PROCTER & GAMBLE (US) 2001-05-30 EP disclosed
EP-0725620-B1 NON-SWEATING LIPSTICKS PROCTER & GAMBLE (US) 2001-03-14 EP disclosed
EP-1051149-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-11-15 EP disclosed
EP-0778765-A4 COSMETIC MAKE-UP COMPOSITIONS PROCTER & GAMBLE (US) 2000-04-19 EP disclosed
US-6013269-A OIL-IN-WATER EMULSION COMPRISING VOLATILE SILICONE OIL AND/OR VOLATILE HYDROCARBON OIL, NON-VOLATILE OIL, PIGMENT AND ORGANIC AMPHIPHILIC MATERIAL CAPABLE OF FORMING SMECTIC LYOTROPIC LIQUID CRYSTALS IN PRODUCT OR ON THE SKIN THE PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed
WO-1997032561-A1 SKIN CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-12 WO disclosed
EP-0778765-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-06-18 EP disclosed
EP-0660696-B1 LIPSTICKS PROCTER & GAMBLE (US) 1997-01-08 EP disclosed
EP-0725620-A1 NON-SWEATING LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1996-08-14 EP disclosed
WO-1996011665-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-04-25 WO disclosed
EP-0706365-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-04-17 EP disclosed
EP-0660696-A1 LIPSTICKS. PROCTER & GAMBLE (US) 1995-07-05 EP disclosed
WO-1995011000-A1 NON-SWEATING LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1995-04-27 WO disclosed
WO-1994028860-A1 COSMETIC MAKE-UP COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1994-12-22 WO disclosed
WO-1994006400-A1 LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1994-03-31 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 (1 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-20020058051-A1 SKIN CARE COMPOSITIONS CUTA, KRT18, POLR1C CA2 4308/4885CA12 4000/4885CA1 4642/4885

“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.