SCHEMBL4430852

SCHEMBL4430852

O=C(N[C@@H](CCCO)C(=O)O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 12/20 0.46
BRD4 O60885 2/20 0.36
MME P08473 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34

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
SCHEMBL5134378 0.90 C3AR1 (0.47) C3AR1
SCHEMBL4433904 0.90 C3AR1 (0.47) C3AR1
Bromide SCHEMBL4986289 0.89 C3AR1 (0.46) C3AR1
SCHEMBL4439606 0.89 C3AR1 (0.46) C3AR1
Bromide SCHEMBL4992858 0.89 C3AR1 (0.46) C3AR1
SCHEMBL4992916 0.87 C3AR1 (0.44) C3AR1BRD4NAALAD2BRD2BRD3
SCHEMBL4994874 0.87 NAALAD2 (0.49) C3AR1NAALAD2
SCHEMBL4988947 0.86 FOLH1 (0.44) C3AR1BRD4MME
SCHEMBL4990143 0.86 C3AR1 (0.42) C3AR1BRD4MME
SCHEMBL14090992 0.86 NPSR1 (0.41) 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 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 1/4885BRD4 2776/4885MME 436/4885

“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.