SCHEMBL17407152

SCHEMBL17407152

COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccco1)Cc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGT O15294 3/20 0.57
TSHR P16473 6/20 0.51
ALDH1A1 P00352 7/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.44
HTT P42858 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ADAM17 P78536 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39

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
SCHEMBL17395944 0.88 OGT (0.60) OGTTSHRALDH1A1NPSR1MAPT
SCHEMBL21789039 0.86 MAPT (0.44) OGTTSHRALDH1A1NPSR1MAPT
SCHEMBL21777359 0.86 MAPT (0.47) OGTTSHRALDH1A1NPSR1MAPT
SCHEMBL21777358 0.86 MAPT (0.47) OGTTSHRALDH1A1NPSR1MAPT
SCHEMBL21788946 0.83 ALDH1A1 (0.45) OGTTSHRALDH1A1NPSR1MAPT
SCHEMBL17406950 0.81 CTSK (0.48) OGTTSHRALDH1A1NPSR1HPGD
SCHEMBL21777440 0.79 PPARG (0.42) OGTTSHRALDH1A1NPSR1MAPT
SCHEMBL21777274 0.76 ALDH1A1 (0.41) OGTALDH1A1NPSR1MAPTPOLB
SCHEMBL23357774 0.75 CTSK (0.46) TSHRALDH1A1NPSR1MAPTPOLB
SCHEMBL21939465 0.74 CTSK (0.51) TSHRALDH1A1NPSR1MAPTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-15 US disclosed
US-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-15 US disclosed
WO-2016004180-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-07 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 (1 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-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF OGA, OGT, CSGALNACT1 OGT 2/4885TSHR 3248/4885ALDH1A1 995/4885

“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.