SCHEMBL2072823

SCHEMBL2072823

CC1(C)CNC(=O)c2sc(Cl)nc2C1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.68
HTT P42858 1/20 0.60
HIF1A Q16665 1/20 0.60
TSHR P16473 1/20 0.59
ALDH1A1 P00352 8/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAP2K2 P36507 3/20 0.48
MAP2K1 Q02750 3/20 0.48
PIK3CD O00329 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 4/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL302929 0.83 ATAD2 (0.70) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL303321 0.81 ATAD2 (1.00) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL12415755 0.79 ATAD2 (0.65) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL3589439 0.76 ALDH1A1 (0.69) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL303269 0.76 HTT (1.00) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL2472341 0.75 ATAD2 (0.52) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL504084 0.75 PIK3CD (0.70) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL3589713 0.71 ALDH1A1 (1.00) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL2071153 0.71 ALDH1A1 (0.40) ATAD2HTTHIF1ATSHRALDH1A1
SCHEMBL303804 0.70 ATAD2 (0.54) ATAD2HTTHIF1ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
EP-1910350-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007007040-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2007-01-18 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-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES GCK, GCKR, HK1 ATAD2 2247/4885HTT 2395/4885HIF1A 864/4885

“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.