SCHEMBL21358699

SCHEMBL21358699

O=C(NCc1ccccc1)NC[C@H](NC(=O)c1c(Cl)cncc1Cl)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 9/20 0.55
ITGB1 P05556 15/20 0.55
ITGB7 P26010 1/20 0.46
ITGAV P06756 4/20 0.45
ITGA5 P08648 3/20 0.45
ALDH1A1 P00352 1/20 0.44
ITGA2 P17301 7/20 0.44
ITGB8 P26012 1/20 0.43
HPGDS O60760 1/20 0.43
ITGB3 P05106 2/20 0.43

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
SCHEMBL21358701 1.00 ITGA4 (0.55) ITGA4ITGB1ITGB7ITGAVITGA5
SCHEMBL21376369 0.92 ITGA4 (0.54) ITGA4ITGB1ITGB7ALDH1A1
SCHEMBL21376376 0.91 ITGA4 (0.51) ITGA4ITGB1ITGAVITGA5ITGB8
SCHEMBL21376627 0.91 ITGA4 (0.56) ITGA4ITGB1ITGB7ITGAVITGA5
SCHEMBL21376642 0.90 ITGA4 (0.50) ITGA4ITGB1ITGB7ITGAVITGA5
SCHEMBL21376626 0.90 ITGA4 (0.55) ITGA4ITGB1ITGB7ITGAVITGA5
SCHEMBL21358813 0.89 ITGB1 (0.55) ITGA4ITGB1ITGB7ITGAVITGA5
SCHEMBL21358810 0.89 ITGB1 (0.55) ITGA4ITGB1ITGB7ITGAVITGA5
SCHEMBL21376629 0.88 NPC1 (0.55) ITGA4ITGB1ITGB7ITGAVITGA5
SCHEMBL21376368 0.85 ITGA4 (0.49) ITGA4ITGB1ITGB7ITGAVITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
EP-3765005-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE The Regents of the University of California (US) 2021-01-20 EP disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 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 (2 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ITGA4 15/4885ITGB1 1/4885ITGB7 12/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 ITGA4 15/4885ITGB1 1/4885ITGB7 12/4885

“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.