SCHEMBL2546509

SCHEMBL2546509

CC(C)(C)OC(=O)N[C@H](CN(C(=O)OC(C)(C)C)c1ncc(Br)s1)[C@@H](CO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
RORC P51449 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CPB2 Q96IY4 1/20 0.31
SSTR4 P31391 1/20 0.30
P2RY2 P41231 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
SCHEMBL4294345 0.93 RORC (0.33) PPARGPPARARORCTRPM8CPB2
SCHEMBL2548962 0.93 PPARG (0.37) PPARGPPARARORCTRPM8CA1
SCHEMBL4294350 0.93 RORC (0.33) PPARGPPARARORCTRPM8CPB2
SCHEMBL2548965 0.93 PPARG (0.37) PPARGPPARARORCTRPM8CA1
SCHEMBL1743569 0.90 PPARG (0.34) PPARGPPARATRPM8CA1CA2
SCHEMBL1743571 0.90 PPARG (0.34) PPARGPPARATRPM8CA1CA2
SCHEMBL1742423 0.90 PPARG (0.34) PPARGPPARATRPM8CA1CA2
SCHEMBL2544470 0.90 PPARG (0.35) PPARGPPARATRPM8CA1CA2
SCHEMBL2549338 0.85 PPARG (0.32) PPARGPPARATRPM8CA1CA2
SCHEMBL1744190 0.85 PPARG (0.32) PPARGPPARATRPM8CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (3 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 PPARG 232/4885PPARA 896/4885RORC 346/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 PPARG 185/4885PPARA 466/4885RORC 789/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 PPARG 194/4885PPARA 486/4885RORC 414/4885

“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.