SCHEMBL7102711

SCHEMBL7102711

COc1c(N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.53
ITGB1 P05556 5/20 0.51
ITGA4 P13612 5/20 0.51
APP P05067 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL7102714 1.00 PPARG (0.53) PPARGITGB1ITGA4APPPPARD
SCHEMBL7259912 0.80 ITGB1 (0.66) PPARGITGB1ITGA4APP
SCHEMBL7259905 0.80 ITGB1 (0.66) PPARGITGB1ITGA4APP
SCHEMBL7718665 0.80 ITGB1 (0.52) PPARGITGB1ITGA4APPPPARA
SCHEMBL28470379 0.76 PPARG (0.72) PPARGPPARA
SCHEMBL7107346 0.76 ITGB1 (0.62) PPARGITGB1ITGA4PPARA
SCHEMBL7107349 0.76 ITGB1 (0.62) PPARGITGB1ITGA4PPARA
SCHEMBL7259452 0.75 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL9139025 0.74 PPARG (0.76) PPARG
SCHEMBL7101295 0.73 ITGB1 (0.77) 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 PPARG 406/4885ITGB1 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.