SCHEMBL4983572

SCHEMBL4983572

N=C(N)NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2-c2ccc(F)cc2)c1=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.55
▸ LIPG Q9Y5X9 1/20 0.41
▸ ITGB1 P05556 4/20 0.40
▸ ITGA4 P13612 4/20 0.40
▸ ITGB7 P26010 4/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ SHMT1 P34896 1/20 0.38
▸ CNR2 P34972 4/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ F2 P00734 1/20 0.36

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 0.96 C3AR1 (0.59) C3AR1ITGB1ITGA4ITGB7RXFP1
SCHEMBL4995966 0.91 C3AR1 (0.53) C3AR1ITGB1ITGA4ITGB7RXFP1
SCHEMBL4986604 0.90 C3AR1 (0.53) C3AR1ITGB1ITGA4ITGB7RXFP1
SCHEMBL4986821 0.87 C3AR1 (0.55) C3AR1RXFP1TP53LMNABRD4
SCHEMBL4990224 0.87 C3AR1 (0.51) C3AR1ITGB1ITGA4ITGB7RXFP1
SCHEMBL4990804 0.86 C3AR1 (0.54) C3AR1ITGB1ITGA4ITGB7RXFP1
SCHEMBL4992855 0.85 C3AR1 (0.73) C3AR1RXFP1TP53LMNABRD4
SCHEMBL4990514 0.85 C3AR1 (0.54) C3AR1RXFP1TP53BRD4SMN1; SMN2
SCHEMBL4996220 0.85 C3AR1 (0.58) C3AR1RXFP1TP53LMNABRD4
SCHEMBL4991593 0.85 C3AR1 (0.58) C3AR1RXFP1TP53LMNABRD4

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 1/4885LIPG 1889/4885ITGB1 821/4885

“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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