SCHEMBL1704445

SCHEMBL1704445

CCCS(=O)(=O)CCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
GCLC P48506 1/20 0.31
CA2 P00918 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL3167161 0.89 GAA (0.34) GAAGCLC
SCHEMBL6890549 0.85 CA2 (0.40) TP53CA2
SCHEMBL2306366 0.85 CA2 (0.35) TP53CA2
SCHEMBL1705128 0.83 GAA (0.32) TP53GAAGCLCTRPM8
SCHEMBL152599 0.80
SCHEMBL3195604 0.77
SCHEMBL6893526 0.77 CA1 (0.32) GAA
SCHEMBL31036922 0.76 CA2 (0.36) TP53CA2
SCHEMBL28806733 0.76 CA2 (0.36) TP53CA2
SCHEMBL2811588 0.76 CA2 (0.36) TP53CA2

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-9926321-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2018-03-27 US disclosed
US-9583272-B2 Electrolyte solution for electrochemical devices, aluminum electrolytic capacitor, and electric double layer capacitor SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2017-02-28 US disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 US disclosed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US disclosed
US-20150076389-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES, ALUMINUM ELECTROLYTIC CAPACITOR, AND ELECTRIC DOUBLE LAYER CAPACITOR SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2015-03-19 US disclosed
EP-2833381-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES, ALUMINUM ELECTROLYTIC CAPACITOR, AND ELECTRIC DOUBLE LAYER CAPACITOR Sumitomo Seika Chemicals Co., Ltd. (JP) 2015-02-04 EP disclosed
US-8664411-B2 Tetrahydropyranochromene gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-04 US disclosed
US-20120136175-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-05-31 US disclosed
EP-2441751-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS Sumitomo Seika Chemicals CO. LTD. (JP) 2012-04-18 EP disclosed
US-20110306797-A1 SULFONE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2011-12-15 US disclosed
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION 2011-09-29 US disclosed
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION 2011-09-29 US disclosed
EP-2351735-A1 SULFONE COMPOUND Sumitomo Seika Chemicals CO. LTD. (JP) 2011-08-03 EP disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-4053526-A PROCESS FOR ISOLATING DINITRONAPHTHALENES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 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-20110306797-A1 SULFONE COMPOUND SULT1E1, SULT1A1, STS TP53 3029/4885GAA 4659/4885GCLC 2034/4885
US-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TP53 165/4885GAA 310/4885GCLC 3326/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 TP53 3264/4885GAA 78/4885GCLC 822/4885
US-20120136175-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS SULT1A1, CBR1, SULT1E1 TP53 4538/4885GAA 3482/4885GCLC 565/4885
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, APP TP53 2816/4885GAA 20/4885GCLC 226/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 TP53 4522/4885GAA 773/4885GCLC 3990/4885

“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.