SCHEMBL21777442

SCHEMBL21777442

CCOC(=O)CCCOc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
CTSK P43235 2/20 0.41
CTSS P25774 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 2/20 0.40
TSHR P16473 1/20 0.40
LTA4H P09960 1/20 0.39
ACE P12821 1/20 0.39
DHFR P00374 1/20 0.38
PPARA Q07869 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
SCHEMBL21777275 0.88 TSHR (0.40) PPARGCTSKCTSSTDP1L3MBTL1
SCHEMBL21777285 0.87 PPARG (0.53) PPARGCTSKCTSSPTPN1ACE
SCHEMBL21777274 0.79 ALDH1A1 (0.41) PPARGCTSKCTSSTDP1PTPN1
SCHEMBL8615645 0.79 CTSS (0.46) PPARGCTSKCTSSACEPPARA
SCHEMBL17395943 0.78 CTSS (0.49) PPARGCTSKCTSSACEPPARA
SCHEMBL265969 0.78 CTSS (0.49) PPARGCTSKCTSSACEPPARA
SCHEMBL21777294 0.78 CTSS (0.49) PPARGCTSKCTSSACEPPARA
SCHEMBL21777268 0.78 PPARG (0.48) PPARGCTSKCTSSPTPN1TSHR
SCHEMBL27833801 0.76 CTSK (0.62) CTSKCTSS
SCHEMBL10240502 0.76 CTSK (0.62) CTSKCTSS

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-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
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 PPARG 2580/4885CTSK 3504/4885CTSS 1495/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 PPARG 2875/4885CTSK 1546/4885CTSS 897/4885

“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.