SCHEMBL5654911

SCHEMBL5654911

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
PTGS2 P35354 15/20 0.34
PTGS1 P23219 14/20 0.34
ALOX5 P09917 8/20 0.33
PDPK1 O15530 1/20 0.31
PHLPP1 O60346 1/20 0.31
AKT1 P31749 1/20 0.31
ILK Q13418 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL5656244 0.83 CYP26A1 (0.36) NOTUMPTGS2PTGS1ALOX5CYP26A1
SCHEMBL2489432 0.75 AHR (0.38) NOTUMPTGS2PTGS1ALOX5
SCHEMBL25181143 0.74 PTGS2 (0.36) NOTUMPTGS2PTGS1ALOX5
SCHEMBL3478661 0.73 PTGS2 (0.34) NOTUMPTGS2PTGS1ALOX5
SCHEMBL5657768 0.72 PTGS2 (0.39) NOTUMPTGS2PTGS1ALOX5
SCHEMBL5657117 0.72 NOTUM (0.45) NOTUMPTGS2PTGS1KDM1A
SCHEMBL5655986 0.71 PTGS2 (0.44) PTGS2PTGS1ALOX5
SCHEMBL5656078 0.71 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL5782886 0.70 PTGS2 (0.35) NOTUMPTGS2PTGS1ALOX5
SCHEMBL5657407 0.68 RARB (0.48) NOTUMPTGS2PTGS1ALOX5

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 NOTUM 1917/4885PTGS2 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.