SCHEMBL4992987

SCHEMBL4992987

N=C(N)NCCC[C@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)s1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 20/20 0.70

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
SCHEMBL29137287 1.00 C3AR1 (0.70) C3AR1
SCHEMBL4995868 0.90 C3AR1 (0.66) C3AR1
SCHEMBL4996254 0.89 C3AR1 (0.65) C3AR1
SCHEMBL4986846 0.89 C3AR1 (0.65) C3AR1
SCHEMBL21129414 0.87 C3AR1 (0.55) C3AR1
SCHEMBL4992256 0.87 C3AR1 (0.62) C3AR1
SCHEMBL4994140 0.87 C3AR1 (0.62) C3AR1
SCHEMBL14090816 0.86 C3AR1 (0.67) C3AR1
SCHEMBL21129159 0.86 C3AR1 (0.54) C3AR1
SCHEMBL16144988 0.85 C3AR1 (0.53) C3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776411-B1 MODULATORS OF C3A RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 US disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 US disclosed
US-20140302069-A1 MODULATORS OF C3A RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-09 US disclosed
US-20140302069-A1 MODULATORS OF C3A RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-09 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
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 (2 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 1/4885
US-20140302069-A1 MODULATORS OF C3A RECEPTORS C3AR1, C5AR2, C5AR1 C3AR1 1/4885

“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.