SCHEMBL4544773

SCHEMBL4544773

O=C(O)CC(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGT O15294 9/20 1.00
PKM P14618 2/20 0.58
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL16487623 0.75 OGT (0.72) OGTPOLBMAPTTDP1SMN1; SMN2
SCHEMBL10131963 0.75 OGT (1.00) OGTPOLBMAPTTDP1SMN1; SMN2
SCHEMBL2587873 0.74 PKM (1.00) PKMLMNASMN1; SMN2ALDH1A1
SCHEMBL16487585 0.73 TP53 (0.84) OGTPOLBMAPTTDP1SMN1; SMN2
SCHEMBL16488019 0.73 OGT (0.78) OGTPOLBMAPTTDP1SMN1; SMN2
SCHEMBL16487603 0.73 MAPT (0.76) OGTPKMPOLBMAPTTDP1
SCHEMBL16488005 0.73 OGT (0.72) OGTPOLBMAPTTDP1SMN1; SMN2
SCHEMBL4544776 0.72 OGT (0.88) OGTPOLBMAPTTDP1SMN1; SMN2
SCHEMBL4544777 0.72 OGT (1.00) OGTPOLBMAPTTDP1LMNA
SCHEMBL16487608 0.72 MAPT (0.84) OGTPKMMAPTLMNASMN1; 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 2/4885PKM 4502/4885POLB 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.