SCHEMBL4544659

SCHEMBL4544659

O=C(c1ccco1)N1CCN(C(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGT O15294 7/20 0.67
PKM P14618 3/20 0.48
ALDH1A1 P00352 6/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL17406949 0.85 ALDH1A1 (0.62) OGTPKMALDH1A1KMT2AMEN1
SCHEMBL2633965 0.85 OGT (0.51) OGTPKMALDH1A1USP2CYP2C19
SCHEMBL17406948 0.85 OGT (0.51) OGTPKMALDH1A1USP2CYP2C19
SCHEMBL17406934 0.85 ALDH1A1 (0.58) OGTPKMALDH1A1KMT2AMEN1
SCHEMBL4544651 0.83 OGT (0.66) OGTPKMALDH1A1KMT2AMEN1
SCHEMBL18965303 0.83 OGT (0.66) OGTPKMALDH1A1KMT2AMEN1
SCHEMBL17406962 0.83 OGT (0.66) OGTPKMALDH1A1KMT2AMEN1
SCHEMBL4544729 0.81 OGT (0.53) OGTPKMALDH1A1KMT2AMEN1
SCHEMBL17406957 0.81 OGT (0.66) OGTPKMALDH1A1USP2CYP2C19
SCHEMBL4544668 0.81 OGT (0.66) OGTPKMALDH1A1USP2CYP2C19

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 8 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
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
WO-2010141074-A2 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-09 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-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF OGA, OGT, CSGALNACT1 OGT 2/4885PKM 3290/4885ALDH1A1 995/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 OGT 2/4885PKM 4502/4885ALDH1A1 1153/4885

“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.