SCHEMBL5656244

SCHEMBL5656244

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
PTGS1 P23219 10/20 0.35
PTGS2 P35354 10/20 0.35
PNMT P11086 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 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
SCHEMBL5654911 0.83 NOTUM (0.35) CYP26A1CYP26B1PTGS1PTGS2ALOX5
SCHEMBL5654523 0.75 NOTUM (0.42) PTGS1PTGS2PNMTCA1CA2
SCHEMBL2489432 0.72 AHR (0.38) PTGS1PTGS2ALOX5NOTUM
SCHEMBL25181143 0.71 PTGS2 (0.36) PTGS1PTGS2ALOX5NOTUM
SCHEMBL5657235 0.71 BRD4 (0.50) PTGS1PTGS2ALOX5
SCHEMBL3478661 0.69 PTGS2 (0.34) PTGS1PTGS2ALOX5NOTUM
SCHEMBL5657768 0.69 PTGS2 (0.39) PTGS1PTGS2ALOX5NOTUM
SCHEMBL5655986 0.68 PTGS2 (0.44) PTGS1PTGS2ALOX5
SCHEMBL5656078 0.68 PTGS2 (0.47) PTGS1PTGS2ALOX5
SCHEMBL5657407 0.68 RARB (0.48) PTGS1PTGS2CA1CA2CA9

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 CYP26A1 393/4885CYP26B1 270/4885PTGS1 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.