SCHEMBL4422089

SCHEMBL4422089

COC(=O)c1ccc(N(Cc2ccccc2)C(=O)OC(C)(C)C)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT5B P51692 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 2/20 0.42
ABL1 P00519 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
AKT1 P31749 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDK1 Q15118 3/20 0.39

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
SCHEMBL23609272 0.81 STAT5B (0.46) STAT5BALDH1A1NR1H4AKT1LMNA
SCHEMBL4332066 0.81 HDAC1 (0.48) ALDH1A1KDM4EMAPTHPGDNR1H4
SCHEMBL15789270 0.81 NR1H4 (0.51) ALDH1A1KDM4EMAPTHPGDNR1H4
SCHEMBL23579129 0.81 STAT5B (0.43) STAT5BALDH1A1NR1H4AKT1MEN1
SCHEMBL31434524 0.80 AKT1 (0.44) STAT5BALDH1A1GLANR1H4AKT1
SCHEMBL20236489 0.76 HDAC1 (0.48) ALDH1A1KDM4ENR1H4LTB4R2MEN1
SCHEMBL7473118 0.76 LTB4R2 (0.49) STAT5BALDH1A1GLANR1H4LTB4R2
SCHEMBL5906827 0.74 CHRM2 (0.50) ALDH1A1GLANR1H4AKT1HDAC3
SCHEMBL23912387 0.74 NR1H4 (0.46) ALDH1A1GLANR1H4LTB4R2AKT1
SCHEMBL4315970 0.74 PTGES (0.54) STAT5BNR1H4LTB4R2AKT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed
EP-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed
EP-1668002-A4 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2006-12-20 EP disclosed
US-7109332-B2 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1668002-A2 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050107357-A1 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-19 US disclosed
WO-2005032488-A2 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-14 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 (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-20050107357-A1 2,4-dioxo-3-quinazolinylaryl sulfonylureas PFKP, DPP3, P2RY13 STAT5B 2071/4885ALDH1A1 1462/4885KDM4E 3010/4885

“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.