SCHEMBL4422992

SCHEMBL4422992

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Cn2c(=O)[nH]c3cc(NCc4ccc(F)cc4)ccc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 7/20 0.46
HTR3A P46098 6/20 0.46
POLB P06746 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
P2RY12 Q9H244 1/20 0.43
MAPT P10636 6/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TP53 P04637 2/20 0.41
BACE1 P56817 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL4418832 0.90 P2RY12 (0.54) CACNA1GHTR3APOLBRXFP1P2RY12
SCHEMBL4412345 0.87 P2RY12 (0.49) CACNA1GHTR3APOLBRXFP1P2RY12
SCHEMBL4426718 0.85 P2RY12 (0.49) CACNA1GHTR3APOLBRXFP1P2RY12
SCHEMBL4415315 0.84 P2RY12 (0.52) RXFP1P2RY12MAPTTP53GAA
SCHEMBL4421833 0.84 USP2 (0.49) POLBRXFP1P2RY12MAPTTP53
SCHEMBL13635070 0.84 P2RY12 (0.52) CACNA1GHTR3APOLBRXFP1P2RY12
SCHEMBL13634873 0.82 P2RY12 (0.52) RXFP1P2RY12MAPTTP53BACE1
SCHEMBL4425407 0.82 P2RY12 (0.51) HTR3APOLBRXFP1P2RY12MAPT
SCHEMBL4413815 0.82 P2RY12 (0.51) HTR3APOLBRXFP1P2RY12MAPT
SCHEMBL4415290 0.82 P2RY12 (0.52) CACNA1GHTR3APOLBRXFP1P2RY12

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 4 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
US-7109332-B2 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20050107357-A1 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-19 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 (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 CACNA1G 2409/4885HTR3A 423/4885POLB 4388/4885

“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.