SCHEMBL7099488

SCHEMBL7099488

CN(Cc1ccccc1)c1c(N[C@@H](Cc2ccc(Nc3nccc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.47
ITGA4 P13612 14/20 0.47
NPR3 P17342 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.38
APP P05067 1/20 0.37
ACACB O00763 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL7263997 1.00 ITGB1 (0.47) ITGB1ITGA4NPR3ADAMTS5APP
SCHEMBL7099207 0.92 ITGB1 (0.55) ITGB1ITGA4NPR3
SCHEMBL7099204 0.92 ITGB1 (0.55) ITGB1ITGA4NPR3
SCHEMBL7259009 0.91 ITGB1 (0.53) ITGB1ITGA4NPR3
SCHEMBL7098945 0.91 ITGB1 (0.53) ITGB1ITGA4NPR3
SCHEMBL7104376 0.90 ITGB1 (0.51) ITGB1ITGA4NPR3PPARG
SCHEMBL7263981 0.90 ITGB1 (0.51) ITGB1ITGA4NPR3PPARG
SCHEMBL7100133 0.89 ITGB1 (0.47) ITGB1ITGA4NPR3PPARG
SCHEMBL7100130 0.89 ITGB1 (0.47) ITGB1ITGA4NPR3PPARG
SCHEMBL7104336 0.88 ITGB1 (0.60) ITGB1ITGA4NPR3

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 28/4885NPR3 946/4885

“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.