SCHEMBL5657235

SCHEMBL5657235

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.50
PTGS2 P35354 14/20 0.49
PTGS1 P23219 13/20 0.49
ALOX5 P09917 7/20 0.45
PLK1 P53350 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 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) PTGS2PTGS1ALOX5
SCHEMBL5656078 0.83 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL5657407 0.82 RARB (0.48) PTGS2PTGS1ALOX5
SCHEMBL5657568 0.79 PTGS2 (0.43) PTGS2PTGS1ALOX5
SCHEMBL5655071 0.79 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL5656556 0.79 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL20887708 0.73 BRD4 (0.56) BRD4PTGS2PTGS1ALOX5BRD2
SCHEMBL16742153 0.73 EZH2 (0.58)
SCHEMBL2489432 0.72 AHR (0.38) PTGS2PTGS1ALOX5
SCHEMBL17664673 0.72 CNR2 (0.44) BRD4PTGS2PTGS1PLK1

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 BRD4 417/4885PTGS2 557/4885PTGS1 617/4885

“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.