SCHEMBL4437359

SCHEMBL4437359

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)s1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 13/20 0.62
P2RY2 P41231 1/20 0.52
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.39
SUCNR1 Q9BXA5 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
SCHEMBL4431865 0.92 C3AR1 (0.54) C3AR1P2RY2KMT2ANPSR1KDM4E
SCHEMBL4428307 0.92 C3AR1 (0.61) C3AR1KMT2ANPSR1KDM4EMAPT
SCHEMBL4427440 0.91 C3AR1 (0.62) C3AR1P2RY2KMT2ANPSR1KDM4E
SCHEMBL4427285 0.90 C3AR1 (0.65) C3AR1P2RY2KMT2ANPSR1KDM4E
SCHEMBL4990322 0.86 C3AR1 (0.68) C3AR1
SCHEMBL4429631 0.86 C3AR1 (0.47) C3AR1KMT2ANPSR1KDM4EMAPT
SCHEMBL14090944 0.84 C3AR1 (0.52) C3AR1P2RY2KMT2ANPSR1KDM4E
SCHEMBL4428359 0.84 C3AR1 (0.51) C3AR1KMT2ANPSR1KDM4EMAPT
SCHEMBL14090946 0.84 C3AR1 (0.47) C3AR1P2RY2KMT2ANPSR1KDM4E
SCHEMBL4426821 0.84 C3AR1 (0.46) C3AR1KMT2ANPSR1MAPTTDP1

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 1/4885P2RY2 110/4885KMT2A 2978/4885

“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.