SCHEMBL6890613

SCHEMBL6890613

CC(C)CCS(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 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
SCHEMBL12824344 0.77 CNR2 (0.36) CNR2GAA
SCHEMBL8188033 0.75 ALDH1A1 (0.30) ALDH1A1MAPTMAPK1HTTKMT2A
SCHEMBL21839147 0.75 CNR2 (0.33) CNR2GAA
SCHEMBL20711230 0.74 CNR2 (0.34) CNR2
SCHEMBL23934777 0.74 CA1 (0.41) ALDH1A1MAPTMAPK1HTTKMT2A
SCHEMBL6889974 0.74 CA1 (0.32)
SCHEMBL19202331 0.73 CES1 (0.33) GAA
SCHEMBL12155293 0.73 CNR2 (0.35) CNR2
SCHEMBL10171155 0.73 CNR2 (0.35) CNR2
SCHEMBL17595790 0.73 ACE2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9063416-B2 Resist composition, method of forming resist pattern and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2015-06-23 US disclosed
US-8664411-B2 Tetrahydropyranochromene gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-04 US disclosed
US-20130157197-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2013-06-20 US disclosed
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION 2011-09-29 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US 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-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-20070185063-A1 Seven-membered ring nucleosides IDENIX PHARMACEUTICALS, INC. 2007-08-09 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 (5 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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 CNR2 1353/4885ALDH1A1 1242/4885MAPT 212/4885
US-20070185063-A1 Seven-membered ring nucleosides NSUN2, NSUN3, HAVCR2 CNR2 4368/4885ALDH1A1 2563/4885MAPT 3338/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CNR2 4167/4885ALDH1A1 1625/4885MAPT 3171/4885
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, APP CNR2 606/4885ALDH1A1 100/4885MAPT 352/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 CNR2 4142/4885ALDH1A1 145/4885MAPT 3505/4885

“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.