SCHEMBL4433955

SCHEMBL4433955

N=C(NO)NCCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 10/20 0.43
HDAC7 Q8WUI4 1/20 0.35
PDPK1 O15530 2/20 0.35
FOLH1 Q04609 3/20 0.33
BRD4 O60885 1/20 0.33
EPHX2 P34913 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL14115163 0.90 C3AR1 (0.39) C3AR1PDPK1FOLH1BRD4EPHX2
SCHEMBL4991622 0.89 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4566055 0.89 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4989708 0.89 C3AR1 (0.41) C3AR1PDPK1FOLH1BRD4
SCHEMBL4989197 0.89 C3AR1 (0.41) C3AR1PDPK1FOLH1BRD4EPHX2
SCHEMBL4992662 0.88 C3AR1 (0.38) C3AR1PDPK1FOLH1BRD4EPHX2
SCHEMBL4988947 0.87 FOLH1 (0.44) C3AR1PDPK1FOLH1BRD4
SCHEMBL4553830 0.86 C3AR1 (0.41) C3AR1HDAC7PDPK1FOLH1BRD4
SCHEMBL4990654 0.86 C3AR1 (0.45) C3AR1HDAC7PDPK1FOLH1TGM2
SCHEMBL4430961 0.86 C3AR1 (0.37) C3AR1PDPK1FOLH1BRD4

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
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 C3AR1 1/4885HDAC7 4472/4885PDPK1 2942/4885

“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.