SCHEMBL23489253

SCHEMBL23489253

Nc1ccc2ccc(C(=O)NCC(=O)NC[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 15/20 0.50
▸ ITGA5 P08648 11/20 0.50
▸ PLAU P00749 1/20 0.49
▸ ITGAV P06756 7/20 0.44
▸ ITGA4 P13612 7/20 0.44
▸ ITGB8 P26012 3/20 0.44
▸ ITGB3 P05106 3/20 0.42
▸ ITGB7 P26010 2/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ ITGB2 P05107 2/20 0.39
▸ ICAM1 P05362 2/20 0.39
▸ ITGAL P20701 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL23455360 0.83 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL23455361 0.83 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL30000959 0.83 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL28958734 0.77 ITGB1 (0.53) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL23489275 0.77 ITGB1 (0.64) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL23455386 0.77 ITGB1 (0.64) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL23489432 0.75 ITGB1 (0.64) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL23455493 0.74 ITGB1 (0.58) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL23455491 0.74 ITGB1 (0.58) ITGB1ITGA5ITGAVITGA4ITGB8
SCHEMBL30001131 0.74 ITGB1 (0.58) ITGB1ITGA5ITGAVITGA4ITGB8

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
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 — — US disclosed
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 — — WO 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 19/4885PLAU 1159/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885PLAU 1159/4885

“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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