SCHEMBL6402915

SCHEMBL6402915

O=C(O)[C@H](CCC(=O)N1CCC(CCOC(=O)N2CCN(c3ccccc3)CC2)CC1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.47
ITGB1 P05556 11/20 0.47
ITGB7 P26010 2/20 0.47
CHRM4 P08173 4/20 0.42
ITGA2 P17301 1/20 0.41
P2RY12 Q9H244 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGA5 P08648 1/20 0.40

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
SCHEMBL6153030 1.00 ITGA4 (0.47) ITGA4ITGB1ITGB7CHRM4ITGA2
SCHEMBL6402913 1.00 ITGA4 (0.47) ITGA4ITGB1ITGB7CHRM4ITGA2
SCHEMBL6159009 0.92 ITGB1 (0.49) ITGA4ITGB1ITGB7
SCHEMBL6147636 0.92 ITGB1 (0.49) ITGA4ITGB1ITGB7
SCHEMBL6150353 0.92 ITGB1 (0.49) ITGA4ITGB1ITGB7
SCHEMBL6401978 0.90 ITGB1 (0.48) ITGA4ITGB1ITGB7ITGA2
SCHEMBL6149415 0.90 ITGB1 (0.48) ITGA4ITGB1ITGB7ITGA2
SCHEMBL6401982 0.90 ITGB1 (0.48) ITGA4ITGB1ITGB7ITGA2
SCHEMBL6149727 0.83 ITGA4 (0.44) ITGA4ITGB1ITGB7ITGA2ITGB3
SCHEMBL6402116 0.83 ITGA4 (0.44) ITGA4ITGB1ITGB7ITGA2ITGB3

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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US claimed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 ITGA4 2/4885ITGB1 4/4885ITGB7 15/4885

“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.