SCHEMBL4427440

SCHEMBL4427440

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 11/20 0.62
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
P2RY2 P41231 1/20 0.42
FOLH1 Q04609 2/20 0.41
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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) C3AR1MEN1KMT2AGAAP2RY2
SCHEMBL4428307 0.92 C3AR1 (0.61) C3AR1MEN1KMT2AGAANPSR1
SCHEMBL4437359 0.91 C3AR1 (0.62) C3AR1MEN1KMT2AGAAP2RY2
SCHEMBL4428359 0.90 C3AR1 (0.51) C3AR1MEN1KMT2AGAANPSR1
SCHEMBL4995573 0.86 C3AR1 (0.68) C3AR1FOLH1
SCHEMBL4431457 0.85 C3AR1 (0.50) C3AR1MEN1KMT2AGAANPSR1
SCHEMBL14090944 0.84 C3AR1 (0.52) C3AR1MEN1KMT2AP2RY2NPSR1
SCHEMBL4427285 0.84 C3AR1 (0.65) C3AR1MEN1KMT2AGAAP2RY2
SCHEMBL4426821 0.84 C3AR1 (0.46) C3AR1MEN1KMT2AGAANPSR1
SCHEMBL14090946 0.84 C3AR1 (0.47) C3AR1MEN1KMT2AP2RY2NPSR1

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 1/4885MEN1 2114/4885KMT2A 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.