SCHEMBL21777274

SCHEMBL21777274

CCOC(=O)CCCOc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)N(CC(=O)OCC)Cc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 8/20 0.40
CTSK P43235 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSS P25774 1/20 0.36
PTPN1 P18031 1/20 0.35
OGT O15294 1/20 0.35
PPARG P37231 1/20 0.35
CASP6 P55212 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21788946 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TRPM8CTSKMEN1
SCHEMBL21777440 0.90 PPARG (0.42) ALDH1A1SMN1; SMN2TRPM8CTSKPOLB
SCHEMBL21789052 0.88 TRPM8 (0.44) ALDH1A1SMN1; SMN2TRPM8MEN1KMT2A
SCHEMBL24002470 0.83 TRPM8 (0.46) ALDH1A1SMN1; SMN2TRPM8POLBMAPT
SCHEMBL29460074 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TRPM8CTSKMEN1
SCHEMBL21789039 0.83 MAPT (0.44) ALDH1A1SMN1; SMN2TRPM8CTSKMEN1
SCHEMBL21789050 0.83 TRPM8 (0.46) ALDH1A1SMN1; SMN2TRPM8POLBMAPT
SCHEMBL21777358 0.80 MAPT (0.47) ALDH1A1SMN1; SMN2TRPM8CTSKMEN1
SCHEMBL21777359 0.80 MAPT (0.47) ALDH1A1SMN1; SMN2TRPM8CTSKMEN1
SCHEMBL21777442 0.79 PPARG (0.41) CTSKCTSSPTPN1PPARGTDP1

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 ALDH1A1 1506/4885SMN1; SMN2 910/4885TRPM8 3715/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 ALDH1A1 1594/4885SMN1; SMN2 3231/4885TRPM8 3740/4885

“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.