SCHEMBL4415290

SCHEMBL4415290

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2c(=O)[nH]c3cc(NCc4ccc(F)cc4)ccc3c2=O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.52
HTR3A P46098 3/20 0.37
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDPK1 O15530 1/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
STING1 Q86WV6 1/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CACNA1G O43497 1/20 0.32

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
SCHEMBL4413815 0.94 P2RY12 (0.51) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL4425407 0.93 P2RY12 (0.51) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL4415214 0.91 P2RY12 (0.49) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL4418832 0.90 P2RY12 (0.54) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL4426718 0.88 P2RY12 (0.49) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL13635114 0.87 P2RY12 (0.66) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL4412718 0.87 P2RY12 (0.54) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL4412345 0.85 P2RY12 (0.49) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL6094405 0.84 P2RY12 (0.59) P2RY12HTR3ATP53RXFP1MAPT
SCHEMBL13634873 0.83 P2RY12 (0.52) P2RY12TP53RXFP1MAPTSMN1; 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 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 P2RY12 21/4885HTR3A 423/4885TP53 3744/4885

“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.