SCHEMBL4984022

SCHEMBL4984022

N=C(N)NCCC[C@@H](CC(=O)O)NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
ALOX5 P09917 3/20 0.36
PDPK1 O15530 1/20 0.34
CASP1 P29466 2/20 0.33
C3AR1 Q16581 2/20 0.33
EPHX2 P34913 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 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
SCHEMBL14091013 0.91 ITGB3 (0.38) ITGB3ITGA2BALOX5PDPK1CASP1
SCHEMBL4425979 0.87 PADI1 (0.40) PDPK1C3AR1EPHX2
SCHEMBL4991622 0.87 C3AR1 (0.45) PDPK1C3AR1
SCHEMBL4566055 0.87 C3AR1 (0.45) PDPK1C3AR1
SCHEMBL4990654 0.84 C3AR1 (0.45) PDPK1C3AR1
SCHEMBL14090906 0.83 CA1 (0.39) PDPK1C3AR1
SCHEMBL14091012 0.83 PDPK1 (0.35) ALOX5PDPK1CASP1
SCHEMBL4992633 0.82 C3AR1 (0.42) PDPK1C3AR1EPHX2
SCHEMBL4986529 0.80 C3AR1 (0.43) PDPK1C3AR1
SCHEMBL4989197 0.78 C3AR1 (0.41) PDPK1C3AR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 ITGB3 364/4885ITGA2B 464/4885ALOX5 254/4885

“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.