SCHEMBL4990593

SCHEMBL4990593

CC(C)(C)Cn1cccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 3/20 0.49
▸ BRD4 O60885 2/20 0.40
▸ FOLH1 Q04609 3/20 0.37
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ RRM1 P23921 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 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
SCHEMBL14115531 0.86 C3AR1 (0.50) C3AR1BRD4FOLH1BRD2BRD3
SCHEMBL14090758 0.85 C3AR1 (0.56) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4989795 0.85 C3AR1 (0.56) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4989846 0.85 C3AR1 (0.56) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4991417 0.85 C3AR1 (0.46) C3AR1BRD4FOLH1FNTAFNTB
SCHEMBL4989716 0.85 C3AR1 (0.51) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4992177 0.84 C3AR1 (0.50) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4990514 0.83 C3AR1 (0.54) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4993499 0.83 C3AR1 (0.55) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4994902 0.83 C3AR1 (0.49) C3AR1BRD4BRD2BRD3BRDT

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
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 1/4885BRD4 2776/4885FOLH1 2725/4885

“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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