SCHEMBL194903

SCHEMBL194903

Cc1c(F)c(Cl)cc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 5/20 0.41
NOTUM Q6P988 1/20 0.37
CDK2 P24941 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL8745886 0.82 ALDH1A1 (0.44) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11444981 0.81 ALDH1A1 (0.54) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9847875 0.78 ALDH1A1 (0.44) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL17982184 0.78 NOTUM (0.43) PKMALDH1A1TSHRNOTUMMEN1
SCHEMBL10628873 0.78 ALDH1A1 (0.54) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL18225530 0.78 PKM (0.45) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1675773 0.78 TSHR (0.42) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27703675 0.77 TSHR (0.49) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27478770 0.76 PKM (0.46) PKMALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL450176 0.75 ALDH1A1 (0.51) PKMALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2428514-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) 2012-03-14 EP disclosed
EP-1951254-B1 [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 PHARM INC (US) 2012-01-04 EP 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
EP-2358706-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) 2011-08-24 EP 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
EP-2076510-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, AND FORMULATIONS THEREOF, FOR THE TREATMENT OF THROMBOSIS AND TROMBOSIS RELATED CONDITIONS Portola Pharmaceuticals, Inc. (US) 2009-07-08 EP 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
EP-1951254-A4 [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 PHARM INC (US) 2009-05-27 EP 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-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
EP-1951254-A2 [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) 2008-08-06 EP 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
WO-2007056219-A2 [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) 2007-05-18 WO 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 (5 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-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 PKM 3879/4885ALDH1A1 712/4885CYP1A2 957/4885
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 PKM 3879/4885ALDH1A1 712/4885CYP1A2 957/4885
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 PKM 3807/4885ALDH1A1 1579/4885CYP1A2 1598/4885
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 PKM 3807/4885ALDH1A1 1579/4885CYP1A2 1598/4885
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 PKM 3879/4885ALDH1A1 712/4885CYP1A2 957/4885

“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.