SCHEMBL4544662

SCHEMBL4544662

O=C1CCc2cc(S(=O)(=O)NC(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGT O15294 12/20 1.00
POLB P06746 2/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL16487694 0.92 OGT (0.84) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL16487690 0.88 OGT (0.78) OGTMAPTALDH1A1TSHRHSD17B10
SCHEMBL4544693 0.84 OGT (1.00) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL16487689 0.84 OGT (0.84) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL16487695 0.82 OGT (0.87) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL16487692 0.82 OGT (0.71) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL4544723 0.81 OGT (1.00) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL4544765 0.81 OGT (1.00) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL18965261 0.80 OGT (0.67) OGTALDH1A1TSHRHSD17B10USP2
SCHEMBL17406956 0.80 OGT (0.67) OGTALDH1A1TSHRHSD17B10USP2

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 3030/4885MAPT 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.