SCHEMBL21777285

SCHEMBL21777285

COC(=O)CCCCOc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
PPARA Q07869 4/20 0.46
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CNR2 P34972 1/20 0.40
ACE P12821 1/20 0.40
PTPN1 P18031 2/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
LTB4R Q15722 1/20 0.38
CACNA1B Q00975 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
SCHEMBL21777442 0.87 PPARG (0.41) PPARGPPARACTSSCTSKACE
SCHEMBL21777268 0.86 PPARG (0.48) PPARGPPARACTSSCTSKCNR2
SCHEMBL8615645 0.83 CTSS (0.46) PPARGPPARACTSSCTSKACE
SCHEMBL17395943 0.82 CTSS (0.49) PPARGPPARACTSSCTSKACE
SCHEMBL21777294 0.82 CTSS (0.49) PPARGPPARACTSSCTSKACE
SCHEMBL265969 0.82 CTSS (0.49) PPARGPPARACTSSCTSKACE
SCHEMBL21777440 0.79 PPARG (0.42) PPARGPPARACTSSCTSK
SCHEMBL21777275 0.76 TSHR (0.40) PPARGPPARACTSSCTSKPTPN1
SCHEMBL15226488 0.76 CTSS (0.45) PPARGPPARACTSSCTSKACE
SCHEMBL8619927 0.73 PPARG (0.44) PPARGPPARACTSSCTSKACE

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 5 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
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 2580/4885PPARA 4249/4885CTSS 1495/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 PPARG 2875/4885PPARA 4232/4885CTSS 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.