SCHEMBL3131397

SCHEMBL3131397

CC(C)(C)c1ccc2oc(-c3cc(NC(=O)c4ccccc4C(F)(F)F)ccc3OCC=Cc3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.56
RXFP1 Q9HBX9 3/20 0.45
AGPAT2 O15120 3/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CETP P11597 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 2/20 0.41

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
SCHEMBL3131388 1.00 PTGES (0.56) PTGESRXFP1AGPAT2NPC1RAB9A
SCHEMBL3131878 0.91 PTGES (0.69) PTGESAGPAT2NPC1RAB9AMEN1
SCHEMBL3131870 0.91 PTGES (0.69) PTGESAGPAT2NPC1RAB9AMEN1
SCHEMBL3137146 0.88 PTGES (0.58) PTGESRXFP1AGPAT2NPC1RAB9A
SCHEMBL4498498 0.82 PTGES (0.81) PTGESAGPAT2MAPTTP53SMN1; SMN2
SCHEMBL3137410 0.78 PTGES (0.71) PTGESRXFP1AGPAT2NPC1RAB9A
SCHEMBL3137505 0.78 MAPT (0.41) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL3137503 0.78 NPC1 (0.38) RXFP1AGPAT2NPC1RAB9AMAPT
SCHEMBL3137514 0.78 MAPT (0.41) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL3137492 0.78 NPC1 (0.38) RXFP1AGPAT2NPC1RAB9AMAPT

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 162/4885RXFP1 717/4885AGPAT2 4533/4885

“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.