SCHEMBL5508840

SCHEMBL5508840

O=C(O)c1ccc(N2COc3cc(F)c(F)cc3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SSTR5 P35346 14/20 0.40
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
CA2 P00918 1/20 0.39
SCN2A Q99250 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL12727392 0.85 GRM2 (0.42) ALDH1A1
SCHEMBL22871444 0.68 BCAT2 (0.52) ALDH1A1CA12CA1CA9
SCHEMBL20601649 0.68 BCAT2 (0.52) ALDH1A1CA12CA1CA9CA2
SCHEMBL31586091 0.68 BCAT2 (0.52) ALDH1A1CA12CA1CA9CA2
SCHEMBL22871442 0.68 BCAT2 (0.49) ALDH1A1CA12CA1CA9CA2
SCHEMBL22226478 0.67 HPGD (0.52) ALDH1A1
SCHEMBL1019042 0.66 ALDH1A1 (0.56) ALDH1A1CA12CA1CA9CA2
SCHEMBL24100848 0.66 HPGD (0.53) ALDH1A1
SCHEMBL22226481 0.65 HPGD (0.42) ALDH1A1
SCHEMBL5427100 0.64 ALDH1A1 (0.61) ALDH1A1CA12CA1CA9CA2

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 4 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
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 ALDH1A1 704/4885SSTR5 3554/4885CA12 2391/4885

“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.