SCHEMBL18047239

SCHEMBL18047239

NC(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.65
ITGA4 P13612 17/20 0.65
ITGB7 P26010 5/20 0.65
ITGA5 P08648 2/20 0.63
ITGA2 P17301 1/20 0.63
ITGAV P06756 1/20 0.55

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
SCHEMBL18047240 1.00 ITGB1 (0.65) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL7538961 0.91 ITGB1 (0.73) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL18047254 0.90 ITGB1 (0.61) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL18047253 0.90 ITGB1 (0.61) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL7395917 0.90 ITGB1 (0.65) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL7395918 0.90 ITGB1 (0.65) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL181378 0.87 ITGB1 (0.65) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL181376 0.87 ITGB1 (0.65) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL18067863 0.86 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA5ITGA2
SCHEMBL4066390 0.86 L3MBTL1 (0.69) ITGB1ITGA4ITGB7ITGA5ITGA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268369-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE The Regents of The University of California (US) 2018-01-17 EP disclosed
WO-2016145258-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-15 WO disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 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-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE ITGB1, ITGA1, ITGAV ITGB1 1/4885ITGA4 10/4885ITGB7 9/4885

“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.