SCHEMBL5657407

SCHEMBL5657407

COC(=O)c1cc(Br)c2c(c1)C(C)(C)CO2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
PTGS2 P35354 15/20 0.45
PTGS1 P23219 14/20 0.45
ALOX5 P09917 8/20 0.45
PDK2 Q15119 1/20 0.41
NOTUM Q6P988 1/20 0.39
RARA P10276 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL5655986 0.83 PTGS2 (0.44) RARBRARGPTGS2PTGS1ALOX5
SCHEMBL5656078 0.83 PTGS2 (0.47) RARBRARGPTGS2PTGS1ALOX5
SCHEMBL5657235 0.82 BRD4 (0.50) PTGS2PTGS1ALOX5
SCHEMBL20876245 0.82 BRD4 (0.57) RARBRARGPTGS2PTGS1ALOX5
SCHEMBL29596797 0.82 BRD4 (0.57) RARBRARGPTGS2PTGS1ALOX5
SCHEMBL7155489 0.82 PDK2 (0.39) RARBRARGPDK2NOTUMRARA
SCHEMBL5655071 0.79 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL5656556 0.79 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL5657568 0.79 PTGS2 (0.43) PTGS2PTGS1ALOX5
SCHEMBL20887708 0.79 BRD4 (0.56) RARBRARGPTGS2PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO 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 (1 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-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 RARB 3268/4885RARG 1834/4885PTGS2 557/4885

“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.