SCHEMBL4544684

SCHEMBL4544684

CN(C)CCN(Cc1ccccc1)C(=O)C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGT O15294 7/20 0.59
TP53 P04637 2/20 0.58
POLB P06746 4/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PKM P14618 1/20 0.50
LIMK2 P53671 1/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
LMNA P02545 1/20 0.41
AVPR1A P37288 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4544736 0.91 OGT (0.60) OGTTP53POLBRXFP1PKM
SCHEMBL4544679 0.87 OGT (0.63) OGTTP53POLBRXFP1PKM
SCHEMBL4544657 0.86 OGT (0.62) OGTTP53POLBRXFP1PKM
SCHEMBL17405140 0.86 OGT (0.62) OGTTP53POLBRXFP1PKM
SCHEMBL4544645 0.85 OGT (0.55) OGTTP53POLBRXFP1PKM
SCHEMBL4544676 0.84 OGT (0.52) OGTTP53POLBRXFP1PKM
SCHEMBL4547032 0.80 PKM (0.58) OGTTP53POLBRXFP1PKM
SCHEMBL12973144 0.80 OGT (0.54) OGTTP53POLBRXFP1PKM
SCHEMBL4544692 0.79 OGT (0.50) OGTTP53POLBRXFP1PKM
SCHEMBL4544666 0.79 OGT (0.51) OGTTP53POLBRXFP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 OGT 2/4885TP53 2791/4885POLB 3030/4885

“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.