SCHEMBL21777440

SCHEMBL21777440

COC(=O)CCCCOc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)OC)Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
PPARA Q07869 2/20 0.37
OGT O15294 1/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
LTA4H P09960 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21789039 0.91 MAPT (0.44) CTSKCTSSOGTALDH1A1POLB
SCHEMBL21777274 0.90 ALDH1A1 (0.41) PPARGCTSKCTSSOGTALDH1A1
SCHEMBL21788946 0.84 ALDH1A1 (0.45) CTSKCTSSOGTALDH1A1POLB
SCHEMBL21777359 0.84 MAPT (0.47) CTSKCTSSOGTALDH1A1POLB
SCHEMBL21777358 0.84 MAPT (0.47) CTSKCTSSOGTALDH1A1POLB
SCHEMBL21789268 0.83 PPARG (0.47) PPARGPPARAALDH1A1POLBMAPT
SCHEMBL21789284 0.83 PPARG (0.47) PPARGPPARAALDH1A1POLBMAPT
SCHEMBL21789058 0.83 PPARG (0.47) PPARGPPARAALDH1A1POLBMAPT
SCHEMBL21777285 0.79 PPARG (0.53) PPARGCTSKCTSSPPARA
SCHEMBL17407152 0.79 OGT (0.57) CTSKCTSSOGTALDH1A1POLB

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 2580/4885CTSK 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.