SCHEMBL3138634

SCHEMBL3138634

CC(C)(C)c1ccc2oc(-c3cc(COc4ccccc4Cl)cc(NC(=O)c4ccccc4C(F)(F)F)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.52
CETP P11597 3/20 0.48
PPARG P37231 1/20 0.48
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3136360 0.88 PTGES (0.49) PTGESCETPPPARGRXFP1MAPT
SCHEMBL3137146 0.81 PTGES (0.58) PTGESCETPPPARGRXFP1MAPT
SCHEMBL4498498 0.79 PTGES (0.81) PTGESPPARGTHRBMAPTTP53
SCHEMBL3137680 0.78 NPC1 (0.47) CETPPOLBTHRBRXFP1MAPT
SCHEMBL3145582 0.78 PTGES (0.52) PTGESPPARGRXFP1PTGS2MAPT
SCHEMBL3136459 0.76 RAB9A (0.44) CETPPPARGPOLBTHRBRXFP1
SCHEMBL3131397 0.72 PTGES (0.56) PTGESCETPRXFP1PTGS2MAPT
SCHEMBL3131388 0.72 PTGES (0.56) PTGESCETPRXFP1PTGS2MAPT
SCHEMBL3137410 0.72 PTGES (0.71) PTGESRXFP1PTGS2MAPTTP53
SCHEMBL4518282 0.69 PTGES (1.00) PTGESMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 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-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 PTGES 162/4885CETP 4523/4885PPARG 280/4885

“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.