SCHEMBL23489508

SCHEMBL23489508

O=C(CNC(=O)c1cccc(NC2=NCCCN2)c1)NC[C@@H](NC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.61
▸ ITGA5 P08648 6/20 0.61
▸ ITGB3 P05106 15/20 0.57
▸ ITGAV P06756 15/20 0.57
▸ ITGB6 P18564 8/20 0.57
▸ ITGB5 P18084 6/20 0.49
▸ ITGA2B P08514 5/20 0.49
▸ ITGB8 P26012 1/20 0.48
▸ ITGA8 P53708 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
SCHEMBL23455311 1.00 ITGB1 (0.61) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23455492 0.94 ITGB3 (0.60) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23455495 0.94 ITGB3 (0.60) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23455402 0.93 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23489345 0.93 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23518372 0.92 ITGB3 (0.56) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23489611 0.88 ITGB3 (0.57) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23489362 0.87 ITGB1 (0.69) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23489235 0.87 ITGB1 (0.69) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL23489182 0.87 ITGB1 (0.79) ITGB1ITGA5ITGB3ITGAVITGB6

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 19/4885ITGB3 957/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885ITGB3 957/4885

“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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