SCHEMBL4986604

SCHEMBL4986604

N=C(N)NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2-c2ccc3ccccc3c2)c1=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 3/20 0.53
▸ ITGB1 P05556 3/20 0.37
▸ ITGA4 P13612 3/20 0.37
▸ ITGB7 P26010 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ PYGL P06737 3/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SHMT1 P34896 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 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
SCHEMBL4989829 0.92 C3AR1 (0.59) C3AR1ITGB1ITGA4ITGB7BRD4
SCHEMBL4983572 0.90 C3AR1 (0.55) C3AR1ITGB1ITGA4ITGB7BRD4
SCHEMBL4990224 0.89 C3AR1 (0.51) C3AR1ITGB1ITGA4ITGB7BRD4
SCHEMBL4995966 0.89 C3AR1 (0.53) C3AR1ITGB1ITGA4ITGB7BRD4
SCHEMBL4986821 0.88 C3AR1 (0.55) C3AR1BRD4MAPTRXFP1POLB
SCHEMBL4993059 0.87 C3AR1 (0.51) C3AR1BRD4MAPTRXFP1POLB
SCHEMBL4991593 0.86 C3AR1 (0.58) C3AR1BRD4MAPTRXFP1POLB
SCHEMBL4990804 0.86 C3AR1 (0.54) C3AR1ITGB1ITGA4ITGB7BRD4
SCHEMBL4987739 0.84 C3AR1 (0.57) C3AR1BRD4CYP2C9MAPTTHRB
SCHEMBL4992855 0.83 C3AR1 (0.73) C3AR1BRD4MAPTRXFP1POLB

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 1/4885ITGB1 821/4885ITGA4 433/4885

“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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