SCHEMBL23978692

SCHEMBL23978692

CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC1CCC(C)(C)c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
CACNA1B Q00975 5/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
PPARA Q07869 2/20 0.41
KLK7 P49862 4/20 0.41
KLK5 Q9Y337 4/20 0.41
SCN9A Q15858 2/20 0.40
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL30083852 1.00 SYK (0.43) SYKCACNA1BITGB3ITGA2BCTSS
SCHEMBL26107448 0.89 IDO1 (0.46) CTSSCTSLPPARASCN9ACTSB
SCHEMBL30279392 0.89 IDO1 (0.46) CTSSCTSLPPARASCN9ACTSB
SCHEMBL23978821 0.89 IDO1 (0.46) CTSSCTSLPPARASCN9ACTSB
SCHEMBL30083843 0.85 EPHX2 (0.50) SYKCACNA1BCTSSPPARASCN9A
SCHEMBL24805458 0.85 EPHX2 (0.50) SYKCACNA1BCTSSPPARASCN9A
SCHEMBL24804772 0.85 EPHX2 (0.50) SYKCACNA1BCTSSPPARASCN9A
SCHEMBL24803370 0.85 CTSL (0.38) SYKCTSSCTSLPPARAKLK5
SCHEMBL23978680 0.83 EPHX2 (0.39) CTSK
SCHEMBL23978678 0.82 IDO1 (0.41)

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-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 SYK 1140/4885CACNA1B 210/4885ITGB3 6/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SYK 1140/4885CACNA1B 210/4885ITGB3 6/4885

“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.