SCHEMBL4544769

SCHEMBL4544769

O=C1CCc2cc(S(=O)(=O)NC(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGT O15294 15/20 1.00
ALDH1A1 P00352 2/20 0.67
MAPT P10636 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL4544745 0.83 OGT (1.00) OGTMAPTPOLBTDP1
SCHEMBL16487692 0.82 OGT (0.71) OGTALDH1A1MAPTPOLBTDP1
SCHEMBL16487694 0.81 OGT (0.84) OGTALDH1A1MAPTPOLBTDP1
SCHEMBL16487689 0.81 OGT (0.84) OGTALDH1A1MAPTPOLBTDP1
SCHEMBL4544765 0.81 OGT (1.00) OGTALDH1A1MAPTPOLBTDP1
SCHEMBL4544693 0.81 OGT (1.00) OGTALDH1A1MAPTPOLBTDP1
SCHEMBL4544662 0.80 OGT (1.00) OGTALDH1A1MAPTPOLBTDP1
SCHEMBL4544659 0.80 OGT (0.67) OGTALDH1A1POLB
SCHEMBL16487695 0.79 OGT (0.87) OGTALDH1A1MAPTPOLBTDP1
SCHEMBL16487615 0.79 OGT (0.73) OGTALDH1A1MAPTPOLBTDP1

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 2/4885ALDH1A1 1153/4885MAPT 759/4885

“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.