SCHEMBL21788946

SCHEMBL21788946

CCOC(=O)CN(Cc1cccs1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
TRPM8 Q7Z2W7 5/20 0.41
OGT O15294 1/20 0.40
CTSK P43235 2/20 0.40
TP53 P04637 1/20 0.40
CTSS P25774 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CACNA1B Q00975 1/20 0.38
LMNA P02545 1/20 0.37

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 0.93 MAPT (0.44) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL21777274 0.90 ALDH1A1 (0.41) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL21777358 0.89 MAPT (0.47) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL21777359 0.89 MAPT (0.47) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL29460074 0.88 ALDH1A1 (0.49) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL21777440 0.84 PPARG (0.42) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL17407152 0.83 OGT (0.57) ALDH1A1MAPTPOLBNPSR1PKM
SCHEMBL24002418 0.81 MAPT (0.51) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2
SCHEMBL3493926 0.77 CTSS (0.53) ALDH1A1SMN1; SMN2TSHRCTSKCTSS
SCHEMBL21789052 0.77 TRPM8 (0.44) ALDH1A1MAPTPOLBNPSR1SMN1; SMN2

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
CN-116162085-B O-GlcNAc transferase inhibitor and application thereof 重庆医科大学 2024-10-01 CN 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 1506/4885MAPT 62/4885POLB 608/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 ALDH1A1 1594/4885MAPT 34/4885POLB 765/4885

“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.