SCHEMBL23489188

SCHEMBL23489188

COC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(Nc2ncc[nH]2)c1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.48
▸ ITGA5 P08648 6/20 0.48
▸ ITGAV P06756 11/20 0.39
▸ ITGB8 P26012 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ ITGB3 P05106 9/20 0.37
▸ ITGB6 P18564 7/20 0.37
▸ ITGB5 P18084 1/20 0.37
▸ ITGA8 P53708 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL30000965 1.00 ITGB1 (0.48) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23455352 0.91 ITGB1 (0.55) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23455350 0.91 ITGB1 (0.55) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23455523 0.86 ITGB1 (0.50) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23455525 0.86 ITGB1 (0.50) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23455354 0.85 ITGB1 (0.47) ITGB1ITGA5JAK2JAK1TYK2
SCHEMBL23455356 0.85 ITGB1 (0.47) ITGB1ITGA5JAK2JAK1TYK2
SCHEMBL23455516 0.83 ITGB3 (0.56) ITGB1ITGA5ITGAVITGB8ITGB3
SCHEMBL23455435 0.82 ITGB1 (0.46) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23455434 0.82 ITGB1 (0.46) 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 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 19/4885ITGAV 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.

Send feedback