SCHEMBL7102735

SCHEMBL7102735

CCCNc1c(NC(Cc2ccc(Oc3ncccn3)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 1.00
ITGA4 P13612 18/20 1.00
APP P05067 1/20 0.45
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL7102732 1.00 ITGB1 (1.00) ITGB1ITGA4APPPLAAT3PLAAT5
SCHEMBL7104202 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7107382 0.82 ITGB1 (0.70) ITGB1ITGA4
SCHEMBL7718508 0.81 ITGB1 (0.77) ITGB1ITGA4APP
SCHEMBL7105093 0.79 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7100060 0.79 ITGA4 (1.00) ITGB1ITGA4
SCHEMBL7100066 0.79 ITGA4 (1.00) ITGB1ITGA4
SCHEMBL7259731 0.79 ITGB1 (0.65) ITGB1ITGA4APP
SCHEMBL7259735 0.79 ITGB1 (0.65) ITGB1ITGA4APP
SCHEMBL7259905 0.78 ITGB1 (0.66) ITGB1ITGA4APP

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 28/4885APP 4031/4885

“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.