SCHEMBL4544665

SCHEMBL4544665

Cc1cccc(N(C)C(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGT O15294 10/20 1.00
POLB P06746 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
TP53 P04637 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL16488006 0.83 OGT (0.79) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL4544777 0.82 OGT (1.00) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL16487629 0.81 OGT (0.82) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL16487601 0.79 OGT (0.66) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL16487623 0.79 OGT (0.72) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL16487941 0.79 MAPT (0.84) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL4544697 0.79 OGT (1.00) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL16487622 0.79 OGT (0.83) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL10131852 0.79 OGT (1.00) OGTPOLBTDP1TP53SMN1; SMN2
SCHEMBL16487942 0.78 SMN1; SMN2 (1.00) OGTPOLBTDP1TP53SMN1; 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 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 2/4885POLB 3030/4885TDP1 1844/4885

“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.