SCHEMBL7101295

SCHEMBL7101295

COc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.77
ITGA4 P13612 20/20 0.77

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
SCHEMBL7264612 0.91 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL7105528 0.87 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7259451 0.87 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7104231 0.87 ITGB1 (0.89) ITGB1ITGA4
SCHEMBL7263171 0.86 ITGB1 (0.74) ITGB1ITGA4
SCHEMBL7099243 0.86 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7263251 0.85 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7177355 0.85 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5361812 0.85 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7098951 0.85 ITGB1 (1.00) ITGB1ITGA4

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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 ITGB1 5/4885ITGA4 28/4885

“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.