SCHEMBL21777294

SCHEMBL21777294

COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.49
CTSK P43235 2/20 0.49
CACNA1B Q00975 1/20 0.45
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.43
ATM Q13315 1/20 0.43
TACR1 P25103 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
ACE P12821 1/20 0.43
KMT2A Q03164 1/20 0.42
PPARD Q03181 2/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL265969 1.00 CTSS (0.49) CTSSCTSKCACNA1BPPARAPPARG
SCHEMBL17395943 1.00 CTSS (0.49) CTSSCTSKCACNA1BPPARAPPARG
SCHEMBL8617411 0.87 CTSS (0.45) CTSSCTSKCACNA1BATMTACR1
SCHEMBL8615645 0.87 CTSS (0.46) CTSSCTSKCACNA1BPPARAPPARG
SCHEMBL15226488 0.87 CTSS (0.45) CTSSCTSKPPARAPPARGATM
SCHEMBL2707685 0.86 KMT2A (0.47) ATMKMT2A
SCHEMBL205096 0.86 KMT2A (0.47) ATMKMT2A
SCHEMBL205095 0.86 KMT2A (0.47) ATMKMT2A
SCHEMBL30558136 0.85 CTSS (0.41) CTSSCTSKPPARAPPARGITGA4
SCHEMBL3815433 0.85 CTSS (0.41) CTSSCTSKPPARAPPARGITGA4

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-12582644-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-03-24 US disclosed
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-11 US disclosed
WO-2020047251-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-03-05 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-12582644-B2 O-GlcNAc transferase inhibitors and uses thereof OGA, OGT, OSTC CTSS 1495/4885CTSK 3504/4885CACNA1B 3079/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 CTSS 897/4885CTSK 1546/4885CACNA1B 3731/4885

“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.