SCHEMBL1325307

SCHEMBL1325307

C=CCOS(=O)(=O)OCC(O)CO.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL30301 0.98 CA1 (0.36) CA1CA2CA7CA4CA9
SCHEMBL5335617 0.96 CA1 (0.35) CA1CA2CA7CA4CA9
Methylamine SCHEMBL28169634 0.93 CA1 (0.35) CA1CA2CA7CA4CA9
SCHEMBL27785265 0.84 LMNA (0.38)
SCHEMBL19260834 0.84 CA1 (0.36) CA1CA2CA7CA4CA9
SCHEMBL14780432 0.83 CA1 (0.33) CA1CA2CA7CA4CA9
SCHEMBL6663669 0.82 LMNA (0.40)
SCHEMBL20526044 0.78 CA2 (0.37) CA1CA2CA7CA9
SCHEMBL4445894 0.78 CA1 (0.33) CA1CA2CA7CA4CA9
SCHEMBL27751400 0.78 CA1 (0.55) CA1CA2CA7CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 US disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 US disclosed
EP-1971316-B1 PERSONAL CARE COMPOSITIONS CONTAINING CATIONICALLY MODIFIED STARCH AND AN ANIONIC SURFACTANT SYSTEM PROCTER & GAMBLE (US) 2017-03-15 EP disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
WO-2000000170-A1 HAIR SHAMPOO AND CONDITIONER SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2000-01-06 WO disclosed
WO-1999018929-A9 PERSONAL CLEANSING COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS PROCTER & GAMBLE (US) 1999-08-26 WO disclosed
WO-1999018928-A1 PERSONAL CLEANSING COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-22 WO disclosed
WO-1999018929-A1 PERSONAL CLEANSING COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-22 WO disclosed
EP-0807161-A1 IMPROVED PERSONAL CLEANSING BAR WITH TAILORED FATTY ACID SOAP THE PROCTER & GAMBLE COMPANY (US) 1997-11-19 EP disclosed
WO-1996023863-A1 IMPROVED PERSONAL CLEANSING BAR WITH TAILORED FATTY ACID SOAP THE PROCTER & GAMBLE COMPANY (US) 1996-08-08 WO disclosed
US-5540852-A FATTY ACID SOAP MIXTURES THE PROCTER & GAMBLE COMPANY (US) 1996-07-30 US disclosed
EP-0196824-A2 Hair care compositions THE PROCTER & GAMBLE COMPANY (US) 1986-10-08 EP disclosed
EP-0158481-A2 Hair care compositions THE PROCTER & GAMBLE COMPANY (US) 1985-10-16 EP disclosed
US-4198209-A AMMONIUM PERCHLORATE, LEACHING WITH AN AQUEOUS SOLUTION CONTAINING A SURFACTANT MCINTOSH MELDON J 1980-04-15 US 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 (6 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-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 CA1 3404/4885CA2 3081/4885CA7 3595/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 CA1 1069/4885CA2 375/4885CA7 2085/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CA1 934/4885CA2 305/4885CA7 2328/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CA1 934/4885CA2 305/4885CA7 2328/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D CA1 2228/4885CA2 581/4885CA7 688/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CA1 934/4885CA2 305/4885CA7 2328/4885

“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.