SCHEMBL4986587

SCHEMBL4986587

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.52
BRD2 P25440 1/20 0.52
BRD3 Q15059 1/20 0.52
BRDT Q58F21 1/20 0.52
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
C3AR1 Q16581 2/20 0.41
ALB P02768 1/20 0.41
MAPK8 P45983 1/20 0.40
FOLH1 Q04609 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4996193 0.85 PRMT5 (0.45) ACHEBCHEC3AR1ALBMAPK8
SCHEMBL4986857 0.82 C3AR1 (0.45) C3AR1ALBFOLH1
SCHEMBL14090780 0.81 C3AR1 (0.49) C3AR1ALBFOLH1
SCHEMBL4995345 0.81 C3AR1 (0.49) C3AR1ALBFOLH1
SCHEMBL7925397 0.81 C3AR1 (0.52) C3AR1ALBFOLH1
SCHEMBL188590 0.81 C3AR1 (0.52) C3AR1ALBFOLH1
SCHEMBL188589 0.81 C3AR1 (0.52) C3AR1ALBFOLH1
SCHEMBL4989846 0.80 C3AR1 (0.56) BRD4BRD2BRD3BRDTRAB9A
SCHEMBL4989795 0.80 C3AR1 (0.56) BRD4BRD2BRD3BRDTRAB9A
SCHEMBL14090758 0.80 C3AR1 (0.56) BRD4BRD2BRD3BRDTRAB9A

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 BRD4 2776/4885BRD2 4008/4885BRD3 3120/4885

“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.