SCHEMBL17406949

SCHEMBL17406949

O=C([C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
OGT O15294 8/20 0.51
PKM P14618 1/20 0.49
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
F2 P00734 1/20 0.41

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
SCHEMBL17406934 0.90 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL17406948 0.89 OGT (0.51) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL2633965 0.89 OGT (0.51) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL4544668 0.86 OGT (0.66) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL18965264 0.86 OGT (0.66) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL17406957 0.86 OGT (0.66) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL4544659 0.85 OGT (0.67) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL4544734 0.85 OGT (0.49) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL4544651 0.85 OGT (0.66) ALDH1A1MEN1KMT2AOGTPKM
SCHEMBL18965303 0.85 OGT (0.66) ALDH1A1MEN1KMT2AOGTPKM

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 2 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
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 ALDH1A1 995/4885MEN1 3624/4885KMT2A 427/4885

“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.