SCHEMBL4986529

SCHEMBL4986529

N=C(N)NCCC[C@H](NC(=O)c1cccn(C(c2ccc(F)cc2)c2ccc(F)cc2)c1=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 5/20 0.43
FOLH1 Q04609 8/20 0.41
SHMT1 P34896 1/20 0.37
PDPK1 O15530 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
TGM2 P21980 1/20 0.34
CACNA1B Q00975 1/20 0.34
ALB P02768 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
SCHEMBL4566055 0.93 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4991622 0.93 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL14091191 0.90 C3AR1 (0.42) C3AR1FOLH1SHMT1PDPK1TGM2
SCHEMBL4989792 0.90 C3AR1 (0.40) C3AR1FOLH1PDPK1TGM2ALB
SCHEMBL4986840 0.90 C3AR1 (0.42) C3AR1FOLH1SHMT1PDPK1TGM2
SCHEMBL4990654 0.90 C3AR1 (0.45) C3AR1FOLH1PDPK1TGM2
SCHEMBL4425979 0.87 PADI1 (0.40) C3AR1PDPK1
SCHEMBL4992633 0.87 C3AR1 (0.42) C3AR1FOLH1PDPK1
SCHEMBL4986550 0.86 C3AR1 (0.41) C3AR1PDPK1
SCHEMBL4995283 0.86 C3AR1 (0.42) C3AR1FOLH1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885FOLH1 2725/4885SHMT1 1412/4885

“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.