SCHEMBL14115154

SCHEMBL14115154

N=C(NCCC[C@H](NC(=O)c1ccc(=O)n(C(c2ccccc2)c2ccccc2)c1)C(=O)O)NC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 5/20 0.37
▸ FOLH1 Q04609 4/20 0.36
▸ ALB P02768 2/20 0.34
▸ PADI1 Q9ULC6 2/20 0.33
▸ PADI3 Q9ULW8 2/20 0.33
▸ PADI4 Q9UM07 2/20 0.33
▸ PADI2 Q9Y2J8 1/20 0.33
▸ RRM1 P23921 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GART P22102 2/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32

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
SCHEMBL4986857 0.85 C3AR1 (0.45) C3AR1FOLH1ALBEPHX2CA2
SCHEMBL14090877 0.76 NPSR1 (0.44) KDM4E
SCHEMBL14147095 0.74 C3AR1 (0.42) C3AR1FOLH1EPHX2
SCHEMBL4997732 0.71 C3AR1 (0.45) C3AR1PADI1PADI3PADI4PADI2
SCHEMBL4991048 0.71 PLG (0.39) —
SCHEMBL4433955 0.69 C3AR1 (0.43) C3AR1FOLH1EPHX2
SCHEMBL2615859 0.68 FOLH1 (0.49) FOLH1ALBPADI1PADI3PADI4
SCHEMBL4986587 0.68 BRD4 (0.52) C3AR1FOLH1ALBKDM4E
SCHEMBL4430961 0.68 C3AR1 (0.37) C3AR1FOLH1KDM4E
SCHEMBL14366288 0.67 FOLH1 (0.46) C3AR1FOLH1ALBPADI1PADI3

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 1 patent. 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

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 2725/4885ALB 1064/4885

“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.

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