SCHEMBL16598570

SCHEMBL16598570

NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.92
ITGA5 P08648 8/20 0.92
ITGAV P06756 14/20 0.68
ITGA4 P13612 5/20 0.60
ITGB3 P05106 3/20 0.60
ITGB7 P26010 1/20 0.51
ITGB5 P18084 2/20 0.48
ITGB6 P18564 2/20 0.48
ITGB8 P26012 1/20 0.48

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
SCHEMBL18339179 1.00 ITGB1 (0.92) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL18349161 1.00 ITGB1 (0.92) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL16598433 0.97 ITGB1 (0.90) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL18349180 0.97 ITGB1 (0.90) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL18339180 0.97 ITGB1 (0.90) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL18349179 0.97 ITGB1 (0.89) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL16598267 0.97 ITGB1 (0.89) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL16598271 0.97 ITGB1 (0.89) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL20558468 0.96 ITGB1 (1.00) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL18348968 0.96 ITGB1 (1.00) ITGB1ITGA5ITGAVITGA4ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131658-B2 Anti-alphavbeta1 integrin compounds and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-11-20 US disclosed
US-20180312500-A9 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-11-01 US disclosed
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS UNIV CALIFORNIA (US) 2016-12-29 US disclosed
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS UNIV CALIFORNIA (US) 2016-12-29 US disclosed
EP-3052515-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS The Regents of the University of California (US) 2016-08-10 EP disclosed
WO-2015048819-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-02 WO 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 (3 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-20180312500-A9 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS ITGB1, ITGAV, ITGA1 ITGB1 1/4885ITGA5 15/4885ITGAV 2/4885
US-10131658-B2 Anti-alphavbeta1 integrin compounds and methods ITGB1, ITGAV, ITGA1 ITGB1 1/4885ITGA5 15/4885ITGAV 2/4885
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS ITGB1, ITGAV, ITGA1 ITGB1 1/4885ITGA5 15/4885ITGAV 2/4885

“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.