SCHEMBL5657768

SCHEMBL5657768

CC1(C)COc2c(Br)cc(C=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.39
PTGS1 P23219 15/20 0.39
ALOX5 P09917 10/20 0.39
NOTUM Q6P988 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
ALDH1A3 P47895 1/20 0.32

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
SCHEMBL670524 0.81 PTGS2 (0.40) PTGS2PTGS1ALOX5NOTUMRARA
SCHEMBL25188734 0.80 PTGS2 (0.39) PTGS2PTGS1ALOX5RARARARB
SCHEMBL15947273 0.80 PTGS2 (0.39) PTGS2PTGS1ALOX5NOTUMRARA
SCHEMBL5785095 0.78 ALDH1A1 (0.42) PTGS2PTGS1ALOX5RARBRARG
SCHEMBL6593328 0.78 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL5782886 0.78 PTGS2 (0.35) PTGS2PTGS1ALOX5NOTUM
SCHEMBL2489432 0.77 AHR (0.38) PTGS2PTGS1ALOX5NOTUM
SCHEMBL25181143 0.75 PTGS2 (0.36) PTGS2PTGS1ALOX5NOTUM
SCHEMBL5656654 0.74 PTGS2 (0.33) PTGS2PTGS1ALOX5NOTUM
SCHEMBL30287207 0.74 PTGS1 (0.36) PTGS2PTGS1ALOX5NOTUMRARB

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 617/4885ALOX5 991/4885

“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.