SCHEMBL4995447

SCHEMBL4995447

Cc1ccccc1C(c1ccccc1C)n1cccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 8/20 0.42
PYGL P06737 4/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 1/20 0.33
FOLH1 Q04609 1/20 0.33
PDPK1 O15530 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TGM2 P21980 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL4995283 0.89 C3AR1 (0.42) C3AR1FOLH1TGM2CASR
SCHEMBL4566055 0.88 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4991622 0.88 C3AR1 (0.45) C3AR1PDPK1
SCHEMBL4986550 0.86 C3AR1 (0.41) C3AR1PYGLCYP2C9PDPK1
SCHEMBL4990654 0.85 C3AR1 (0.45) C3AR1FOLH1PDPK1TGM2
SCHEMBL4988251 0.84 PDPK1 (0.45) C3AR1BRD4PDPK1
SCHEMBL4989584 0.84 C3AR1 (0.40) C3AR1PYGLCYP2C9PDPK1
SCHEMBL4986529 0.83 C3AR1 (0.43) C3AR1FOLH1PDPK1TGM2
SCHEMBL4425979 0.82 PADI1 (0.40) C3AR1PDPK1
SCHEMBL4992633 0.82 C3AR1 (0.42) C3AR1BRD4FOLH1PDPK1

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
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

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 1/4885PYGL 1070/4885CYP2C9 3080/4885

“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.