SCHEMBL7875684

SCHEMBL7875684

CC(C)C1CCCC(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
GBA1 P04062 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36

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
SCHEMBL16885318 1.00 TRPA1 (0.43) TRPA1TRPM8GBA1CA1CA2
SCHEMBL16885315 1.00 TRPA1 (0.43) TRPA1TRPM8GBA1CA1CA2
SCHEMBL16885317 1.00 TRPA1 (0.43) TRPA1TRPM8GBA1CA1CA2
SCHEMBL16885307 1.00 TRPA1 (0.43) TRPA1TRPM8GBA1CA1CA2
SCHEMBL16885375 0.95 TRPA1 (0.43) TRPA1TRPM8GBA1CA1CA2
SCHEMBL27053887 0.92 TRPA1 (0.41) TRPA1TRPM8GBA1CA1CA2
SCHEMBL2307353 0.89 TRPA1 (0.46) TRPA1TRPM8GBA1CA1CA2
SCHEMBL22604167 0.86 TRPA1 (0.50) TRPA1TRPM8GBA1
SCHEMBL12869230 0.83
SCHEMBL680615 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
EP-2744030-B1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES (JP) 2016-04-06 EP disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9236635-B2 Non-aqueous electrolyte and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2016-01-12 US disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-9079890-B2 Intermediates for the preparation of pyridin-2-yl-amino-1,2,4-thiadiazole derivatives ARRAY BIOPHARMA INC. (US) 2015-07-14 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES ARRAY BIOPHARMA, INC. 2015-02-26 US disclosed
US-8853409-B2 Pyridin-2yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA INC. (US) 2014-10-07 US disclosed
EP-2744030-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE USING SAME UBE Industries, Ltd. (JP) 2014-06-18 EP disclosed
US-20140154587-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-06-05 US disclosed
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA, INC. (US) 2012-11-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8212045-B2 Pyridin-2-yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA, INC. (US) 2012-07-03 US disclosed
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 WO disclosed
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 WO disclosed
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA INC. (US) 2010-08-12 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK TRPA1 3937/4885TRPM8 4741/4885GBA1 3440/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 TRPA1 3964/4885TRPM8 4743/4885GBA1 3386/4885
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK TRPA1 4692/4885TRPM8 4646/4885GBA1 946/4885
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES PDXK, IL4I1, CDK2 TRPA1 4393/4885TRPM8 4765/4885GBA1 4339/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 TRPA1 4657/4885TRPM8 4093/4885GBA1 88/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK TRPA1 4727/4885TRPM8 4684/4885GBA1 700/4885

“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.