SCHEMBL681262

SCHEMBL681262

COC(=O)c1cc(F)c(F)cc1NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
MAPK14 Q16539 7/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
PKM P14618 2/20 0.43
RAF1 P04049 2/20 0.42

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
SCHEMBL8734826 0.92 KDM4E (0.48) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1619890 0.87 ALDH1A1 (0.49) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13362571 0.87 NPC1 (0.56) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL682170 0.86 KDM4E (0.52) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12727378 0.83 MAPT (0.67) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1673365 0.80 MAPK14 (0.43) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24730061 0.79 ATR (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL30641926 0.79 ATR (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL38657047 0.78 MAP4K4 (0.49) ALDH1A1GAA
SCHEMBL20815536 0.77 MAPT (0.64) KDM4ENPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946219-B2 Combination therapy with a compound acting as a platelet ADP receptor inhibitor PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8946219-B2 Combination therapy with a compound acting as a platelet ADP receptor inhibitor PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
EP-2146705-B1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARM INC (US) 2014-03-05 EP disclosed
EP-2586439-A1 Combination therapy with a compound acting as a platelet ADP receptor inhibitor Portola Pharmaceuticals, Inc. (US) 2013-05-01 EP disclosed
US-20120129876-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120088736-A1 [4-(6-HALO-7-Substituted-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS and Forms and Methods Related Thereto PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8058284-B2 [4-(6-halo-7-substituted-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-5-chloro-thiophen-2-yl-sulfonylureas and forms and methods related thereto PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20110033459-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. 2011-02-10 US disclosed
WO-2010054020-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
US-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20090042916-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
WO-2008137753-A2 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
WO-2008137809-A2 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL] -5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, IN DIFFERENT CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
WO-2008137787-A2 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20080279845-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2007-09-06 US disclosed
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2007-05-31 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 (10 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-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 KDM4E 4459/4885NPC1 3834/4885RAB9A 2173/4885
US-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 KDM4E 2311/4885NPC1 1960/4885RAB9A 922/4885
US-20090042916-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 KDM4E 2311/4885NPC1 1960/4885RAB9A 922/4885
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 KDM4E 4459/4885NPC1 3834/4885RAB9A 2173/4885
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF P2RY4, P2RY6, P2RY13 KDM4E 1862/4885NPC1 2207/4885RAB9A 918/4885
US-20120088736-A1 [4-(6-HALO-7-Substituted-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS and Forms and Methods Related Thereto P2RX7, P2RY1, P2RY6 KDM4E 3098/4885NPC1 1398/4885RAB9A 1565/4885
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO P2RX7, P2RY1, P2RY6 KDM4E 3098/4885NPC1 1398/4885RAB9A 1565/4885
US-20080279845-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR MPL, P2RY4, P2RY1 KDM4E 3409/4885NPC1 1989/4885RAB9A 2326/4885
US-20110033459-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR MPL, P2RY4, P2RY1 KDM4E 3409/4885NPC1 1989/4885RAB9A 2326/4885
US-20120129876-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 KDM4E 2311/4885NPC1 1960/4885RAB9A 922/4885

“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.