SCHEMBL5512110

SCHEMBL5512110

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.36
CASP3 P42574 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 0.90 GRM2 (0.42) GRM2SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL12727388 0.87 GRM2 (0.42) GRM2SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL12768203 0.84 TSHR (0.38) GRM2SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5511797 0.84 MAPK14 (0.34) GRM2ALDH1A1RAB9ANPC1MAPK14
SCHEMBL12768201 0.81 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1LMNA
SCHEMBL5509910 0.81 MAPT (0.36) SMN1; SMN2ALDH1A1MAPTCASP3POLB
SCHEMBL1639571 0.79 ROCK2 (0.43) SMN1; SMN2NPC1
SCHEMBL1640224 0.79 ROCK2 (0.43) SMN1; SMN2NPC1
SCHEMBL14522065 0.79 MAP2K2 (0.33) ALDH1A1LMNAKDM4E
SCHEMBL14522043 0.78 F10 (0.33) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 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 GRM2 2193/4885SMN1; SMN2 933/4885ALDH1A1 704/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT GRM2 1305/4885SMN1; SMN2 3677/4885ALDH1A1 1431/4885

“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.