SCHEMBL4544723

SCHEMBL4544723

COc1cccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGT O15294 12/20 1.00
ALDH1A1 P00352 3/20 0.62
USP2 O75604 1/20 0.62
POLB P06746 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
GLA P06280 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PKM P14618 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
SCHEMBL16487695 0.93 OGT (0.87) OGTALDH1A1POLBTDP1GLA
SCHEMBL4544693 0.87 OGT (1.00) OGTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL16487689 0.85 OGT (0.84) OGTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL16487694 0.83 OGT (0.84) OGTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL16487986 0.83 OGT (0.72) OGTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL4544662 0.81 OGT (1.00) OGTALDH1A1USP2POLBTDP1
SCHEMBL12973131 0.81 OGT (0.68) OGTALDH1A1USP2MAPTTSHR
SCHEMBL16488014 0.80 OGT (0.72) OGTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL16487692 0.80 OGT (0.71) OGTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL16487572 0.79 MAPT (0.75) OGTALDH1A1POLBTDP1SMN1; 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 2/4885ALDH1A1 1153/4885USP2 2288/4885

“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.