SCHEMBL4990019

SCHEMBL4990019

NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2C(F)(F)F)c1=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.59
RXFP1 Q9HBX9 3/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.42
BRD4 O60885 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
HTT P42858 2/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
TGM2 P21980 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4986322 0.86 C3AR1 (0.52) C3AR1RXFP1POLBMAPTTHRB
SCHEMBL4437391 0.85 C3AR1 (0.61) C3AR1RXFP1MAPTTHRBTP53
SCHEMBL4991600 0.84 BRD4 (0.59) C3AR1RXFP1POLBMAPTTP53
SCHEMBL5135360 0.84 BRD4 (0.59) C3AR1RXFP1POLBMAPTTP53
SCHEMBL4997823 0.84 KDM4E (0.61) C3AR1RXFP1POLBMAPTATM
SCHEMBL4432156 0.84 C3AR1 (0.50) C3AR1RXFP1POLBMAPTTHRB
SCHEMBL4992956 0.81 ATM (0.67) C3AR1RXFP1POLBMAPTTP53
SCHEMBL4993431 0.81 C3AR1 (0.58) C3AR1RXFP1POLBMAPTTP53
SCHEMBL4990153 0.80 SMN1; SMN2 (0.53) C3AR1RXFP1POLBMAPTTP53
SCHEMBL4996662 0.79 C3AR1 (0.58) C3AR1RXFP1POLBMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN 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 (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 1/4885RXFP1 455/4885POLB 4248/4885

“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.