SCHEMBL10070731

SCHEMBL10070731

COc1ccc(Nc2ccc(CNC(=O)[C@]3(NC(=O)c4cn[nH]c(=O)c4)CCOC3)c(F)c2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.38
P2RX7 Q99572 1/20 0.35
PPARG P37231 5/20 0.34

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
SCHEMBL10070762 0.93 EPHX2 (0.37) EPHX2P2RX7PPARG
SCHEMBL2805106 0.91 AURKA (0.35) EPHX2P2RX7PPARG
SCHEMBL10070760 0.91 BDKRB1 (0.38) EPHX2P2RX7PPARG
SCHEMBL16404399 0.91 ROCK2 (0.33)
SCHEMBL10071821 0.90 EPHX2 (0.34) EPHX2P2RX7
SCHEMBL15988436 0.90 P2RX7 (0.35) EPHX2P2RX7
SCHEMBL2806442 0.90 P2RX7 (0.33) P2RX7
SCHEMBL9892777 0.89 PTGES (0.34) EPHX2
SCHEMBL10071822 0.89 EPHX2 (0.34) EPHX2P2RX7
SCHEMBL10070590 0.89 EPHX2 (0.40) EPHX2P2RX7PPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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-20120208823-A1 New Compounds ABCG2, SDHA, UGT2B7 EPHX2 2637/4885P2RX7 3724/4885PPARG 1177/4885

“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.