SCHEMBL5658641

SCHEMBL5658641

CCC(=O)c1ccc2c(c1)C(C)(C)CO2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.64
PTGS1 P23219 7/20 0.64
ATM Q13315 1/20 0.56
RARB P10826 5/20 0.55
RARG P13631 5/20 0.55
RARA P10276 4/20 0.55
RXRA P19793 1/20 0.51
ALOX5 P09917 4/20 0.45
HPGD P15428 1/20 0.43
NOTUM Q6P988 2/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41

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
SCHEMBL4613381 0.83 PTGS2 (0.62) PTGS2PTGS1RARBRARGRARA
SCHEMBL3542625 0.83 RARB (0.71) PTGS2PTGS1RARBRARGRARA
SCHEMBL3547915 0.83 RARB (0.63) PTGS2PTGS1RARBRARGRARA
Hydrochloric Acid SCHEMBL11212968 0.81 RARB (0.69) PTGS2PTGS1RARBRARGRARA
SCHEMBL11212966 0.81 RARB (0.58) PTGS2PTGS1RARBRARGRARA
SCHEMBL5593097 0.81 RARB (0.55) PTGS2PTGS1RARBRARGRARA
SCHEMBL21776894 0.81 PTGS1 (0.56) PTGS2PTGS1RARBRARGRARA
SCHEMBL4612105 0.79 PTGS2 (1.00) PTGS2PTGS1RARBRARGRARA
SCHEMBL16744298 0.79 RARB (0.73) PTGS2PTGS1RARBRARGRARA
SCHEMBL5656242 0.79 RARB (0.55) PTGS2PTGS1RARBRARGRARA

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 PTGS2 557/4885PTGS1 617/4885ATM 3378/4885

“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.