SCHEMBL23489245

SCHEMBL23489245

O=C(CNC(=O)c1cccc(NC2NCCN2)c1)NC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 14/20 0.57
▸ ITGA5 P08648 11/20 0.57
▸ ITGAV P06756 9/20 0.45
▸ ITGA4 P13612 7/20 0.45
▸ ITGB3 P05106 5/20 0.44
▸ ITGB8 P26012 3/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ GPR139 Q6DWJ6 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ITGB6 P18564 1/20 0.37
▸ ITGA2 P17301 1/20 0.37
▸ ITGB7 P26010 1/20 0.37

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
SCHEMBL23518423 0.86 ITGB1 (0.54) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23518458 0.82 ITGB1 (0.52) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23518392 0.81 ITGB1 (0.49) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23489243 0.81 ITGB1 (0.54) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23455386 0.81 ITGB1 (0.64) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23489275 0.81 ITGB1 (0.64) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23455361 0.80 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL30000959 0.80 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23455360 0.80 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23489432 0.79 ITGB1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 — — US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 — — 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 (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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885ITGAV 1756/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885ITGAV 1756/4885

“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.

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