SCHEMBL23489448

SCHEMBL23489448

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.55
ITGA5 P08648 7/20 0.55
ITGAV P06756 2/20 0.45
ITGB8 P26012 1/20 0.45
ITGA4 P13612 8/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB7 P26010 2/20 0.42
ITGA2 P17301 1/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
S1PR1 P21453 1/20 0.40

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
SCHEMBL23455570 0.89 ITGB1 (0.66) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23489181 0.86 ITGB2 (0.54) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23489408 0.83 ITGB1 (0.48) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL28884224 0.83 ITGB1 (0.57) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23518384 0.83 ITGB1 (0.53) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23455597 0.83 ITGB1 (0.53) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23489171 0.82 ITGB1 (0.57) ITGB1ITGA5ITGAVITGB8ITGA4
SCHEMBL23489237 0.82 ITGB1 (0.52) ITGB1ITGA5ITGAVITGB8ITGA4
Hydrochloric Acid SCHEMBL23455540 0.81 ITGB1 (0.56) ITGB1ITGA5ITGAVITGB8ITGA4
Hydrochloric Acid SCHEMBL28884207 0.81 ITGB1 (0.56) 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 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.