SCHEMBL23978549

SCHEMBL23978549

CN(Cc1ccccc1)C(=O)NC[C@H](NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(O)c2)cc1Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.44
ITGB1 P05556 5/20 0.44
ITGA5 P08648 4/20 0.44
MT-CO2 P00403 1/20 0.40
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
ITGA4 P13612 3/20 0.39
ITGAV P06756 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.37
CXCR3 P49682 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL23978649 1.00 ITGAL (0.44) ITGALITGB1ITGA5MT-CO2HSD17B1
SCHEMBL30279400 1.00 ITGAL (0.44) ITGALITGB1ITGA5MT-CO2HSD17B1
SCHEMBL23978942 0.92 ITGB1 (0.46) ITGB1ITGA5ITGA4TMEM97SIGMAR1
SCHEMBL23978567 0.92 ITGB1 (0.46) ITGB1ITGA5ITGA4TMEM97SIGMAR1
SCHEMBL30279319 0.92 ITGB1 (0.46) ITGB1ITGA5ITGA4TMEM97SIGMAR1
SCHEMBL26498790 0.92 MAPT (0.40) ITGALITGB1ITGA5MT-CO2HSD17B1
SCHEMBL23978615 0.92 MAPT (0.40) ITGALITGB1ITGA5MT-CO2HSD17B1
SCHEMBL26476033 0.91 PPARG (0.46) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL26476160 0.91 PPARG (0.46) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL23978670 0.85 TMEM97 (0.45) MT-CO2HSD17B1HSD17B2ROCK2ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 ITGAL 7/4885ITGB1 1/4885ITGA5 15/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ITGAL 7/4885ITGB1 1/4885ITGA5 15/4885

“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.