SCHEMBL5518951

SCHEMBL5518951

CNc1cc2c(cc1F)C(=O)N(c1ccc(C(=O)O)cc1)CO2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
HPSE Q9Y251 1/20 0.35
RORC P51449 2/20 0.34
SSTR5 P35346 7/20 0.34
CA2 P00918 1/20 0.34
SCN2A Q99250 1/20 0.34
PDE5A O76074 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL5512110 0.89 GRM2 (0.39) ALDH1A1TP53
SCHEMBL12768203 0.86 TSHR (0.38) ALDH1A1F10
SCHEMBL5511797 0.86 MAPK14 (0.34) ALDH1A1F10
SCHEMBL12768201 0.83 ALDH1A1 (0.32) ALDH1A1F10
SCHEMBL1640224 0.83 ROCK2 (0.43) CA1CA2F10
SCHEMBL14522065 0.81 MAP2K2 (0.33) ALDH1A1F10
SCHEMBL1640669 0.81 ROCK2 (0.46) ALDH1A1CA1CA2
SCHEMBL1640888 0.81 ROCK2 (0.46) ALDH1A1CA1CA2
SCHEMBL1640672 0.81 ROCK2 (0.46) ALDH1A1CA1CA2
SCHEMBL3841699 0.80 KMT2A (0.33) TP53F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 EP disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
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
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 (2 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 ALDH1A1 704/4885TP53 4740/4885CA12 2391/4885
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 ALDH1A1 284/4885TP53 3875/4885CA12 4849/4885

“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.