SCHEMBL13103261

SCHEMBL13103261

CSN1CCC(Nc2cccc3cc(C4=N[C@H](COC(=O)C(C)(C)C)CS4)[nH]c23)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.31
ATAD2 Q6PL18 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL1633353 0.87 PIM1 (0.42) BRD4
SCHEMBL1277566 0.87 BRD4 (0.37) BRD4ATAD2KDM4EALDH1A1GLA
SCHEMBL1277565 0.87 BRD4 (0.37) BRD4ATAD2KDM4EALDH1A1GLA
SCHEMBL1278173 0.84 BRD4 (0.35) BRD4ATAD2KDM4EALDH1A1GLA
SCHEMBL1277687 0.77 KDM4E (0.38) KDM4EALDH1A1GLA
SCHEMBL1277688 0.77 KDM4E (0.38) KDM4EALDH1A1GLA
SCHEMBL3030442 0.75 PIM1 (0.40) BRD4ATAD2
SCHEMBL3030445 0.75 PIM1 (0.40) BRD4ATAD2
SCHEMBL1277557 0.74 APEX1 (0.40) KDM4EALDH1A1GLA
SCHEMBL1277554 0.74 APEX1 (0.40) KDM4EALDH1A1GLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US 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-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 BRD4 3674/4885ATAD2 2052/4885KDM4E 1864/4885

“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.