SCHEMBL23489231

SCHEMBL23489231

CNCC(=O)NC[C@H](NC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.52
ITGA5 P08648 6/20 0.52
ACE P12821 1/20 0.42
ITGAV P06756 4/20 0.42
ITGB8 P26012 1/20 0.42
ITGB3 P05106 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 2/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 1/20 0.39
ITGA4 P13612 1/20 0.39
TACR1 P25103 1/20 0.38
S1PR4 O95977 1/20 0.38
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL23489210 0.89 ITGB1 (0.45) ITGB1ITGA5ACEITGAVITGB8
SCHEMBL23978867 0.88 ITGB1 (0.47) ITGB1ITGA5ITGAVITGB3MAPT
SCHEMBL23455570 0.86 ITGB1 (0.66) ITGB1ITGA5ITGAVITGB8ITGB3
SCHEMBL23489479 0.85 ITGB1 (0.42) ITGB1ITGA5ACEMAPTCASP3
SCHEMBL23978758 0.84 SYK (0.53) MAPTMEN1KMT2A
SCHEMBL23489195 0.82 ITGB1 (0.50) ITGB1ITGA5ACEITGAVITGB8
SCHEMBL23489196 0.82 ACE (0.45) ITGB1ITGA5ACEMAPTMEN1
SCHEMBL23455522 0.80 ITGB1 (0.49) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23489200 0.80 ITGB1 (0.49) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23455252 0.79 ITGB1 (0.49) ITGB1ITGA5ITGAVITGB8ITGA4

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 19/4885ACE 603/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885ACE 603/4885

“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.