SCHEMBL4433107

SCHEMBL4433107

N=C(N)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)n(Cc2ccccc2)c1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 4/20 0.40
▸ CAPN1 P07384 1/20 0.37
▸ PADI4 Q9UM07 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ PADI2 Q9Y2J8 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ SHMT1 P34896 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ KLK1 P06870 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 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
SCHEMBL4986323 0.89 C3AR1 (0.40) C3AR1CAPN1PADI4BRD4ITGB3
SCHEMBL14090758 0.83 C3AR1 (0.56) C3AR1BRD4
SCHEMBL4989795 0.83 C3AR1 (0.56) C3AR1BRD4
SCHEMBL4989846 0.83 C3AR1 (0.56) C3AR1BRD4
SCHEMBL4990514 0.80 C3AR1 (0.54) C3AR1BRD4
SCHEMBL4993499 0.80 C3AR1 (0.55) C3AR1BRD4
SCHEMBL14090858 0.80 NPSR1 (0.42) —
SCHEMBL4990132 0.80 CAPN1 (0.60) C3AR1CAPN1ACHEBCHEFOLH1
SCHEMBL4994343 0.80 C3AR1 (0.53) C3AR1BRD4
SCHEMBL4992975 0.78 C3AR1 (0.51) C3AR1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 — — EP 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
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 1/4885CAPN1 1201/4885PADI4 2431/4885

“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.

Send feedback