SCHEMBL5656091

SCHEMBL5656091

CN(C)C=CC(=O)c1cc(-c2cc(C3OCCO3)ccc2OC(F)(F)F)c2c(c1)C(C)(C)CO2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.36
PTGS1 P23219 7/20 0.36
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 3/20 0.33
ALDH1A1 P00352 1/20 0.32
RXRA P19793 8/20 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
SCHEMBL5659881 0.86 RXRA (0.35) PTGS2PTGS1ALOX5RXRA
SCHEMBL5656089 0.82 RXRA (0.37) RXRA
SCHEMBL5781465 0.81 PTGS1 (0.33) PTGS2PTGS1ALOX5RXRA
SCHEMBL5654495 0.74 RXRA (0.32) RXRA
SCHEMBL5654905 0.72 RXRA (0.39) PTGS2PTGS1ALOX5RXRA
SCHEMBL5655055 0.71 RXRA (0.41) PTGS2PTGS1ALOX5RXRA
SCHEMBL5654519 0.71 RXRA (0.43) PTGS2PTGS1ALOX5RXRA
SCHEMBL5657859 0.69 RARB (0.44) PTGS2PTGS1ALOX5ALDH1A1RXRA
SCHEMBL5664203 0.69 RXRA (0.41) PTGS2PTGS1ALOX5RXRA
SCHEMBL5655013 0.69 PTGS2 (0.42) PTGS2PTGS1ALOX5RXRA

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 2 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
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US 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 617/4885LMNA 874/4885

“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.