SCHEMBL5547100

SCHEMBL5547100

CNc1cc2c(cc1F)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(C)s3)cc1)CO2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
FPR2 P25090 1/20 0.30
KIT P10721 1/20 0.30
MAPT P10636 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL5520241 0.91 P2RY12 (0.58) P2RY12MEN1KMT2AMAPTF10
SCHEMBL14522023 0.90 P2RY12 (0.46) P2RY12FPR2MAPTF10
SCHEMBL5508557 0.88 P2RY12 (0.39) P2RY12F10
SCHEMBL14522024 0.87 P2RY12 (0.48) P2RY12F10
SCHEMBL14522008 0.83 P2RY12 (0.51) P2RY12FPR2F10
SCHEMBL5510340 0.83 P2RY12 (0.50) P2RY12MEN1KMT2AMAPTF10
SCHEMBL5511681 0.83 P2RY12 (0.49) P2RY12MEN1KMT2AMAPTF10
SCHEMBL14544665 0.82 P2RY12 (0.40) P2RY12
SCHEMBL5514432 0.82 P2RY12 (0.48) P2RY12MEN1KMT2AMAPTF10
SCHEMBL14522032 0.82 P2RY12 (0.49) P2RY12MEN1KMT2AFPR2MAPT

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
EP-1812429-A2 SUBSTITUTED 2H-1,3-BENZOXAZIN-4(3H)-ONES Portola Pharmaceuticals, Inc. (US) 2007-08-01 EP disclosed
US-7205296-B2 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
US-7205296-B2 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
WO-2006039212-A2 SUBSTITUTED 2H-1,3-BENZOXAZIN-4(3H)-ONES PORTOLA PHARMACEUTICALS, INC. (US) 2006-04-13 WO disclosed
US-20060069093-A1 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2006-03-30 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-20060069093-A1 Substituted 2H-1,3-benzoxazin-4(3H)-ones TBXAS1, TBXA2R, SERPINC1 P2RY12 677/4885BRD4 46/4885CREBBP 1579/4885

“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.