SCHEMBL13409181

SCHEMBL13409181

Cn1ccnc1-c1ccnc(-n2ccc3cc(N(CC(=O)OC(C)(C)C)Sc4cc(Cl)cc(Cl)c4)ccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.33
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL13409206 0.89 DGAT1 (0.31) DGAT1
SCHEMBL13409420 0.87 DGAT1 (0.31) DGAT1PDE5APDE4APDE1APDE1B
SCHEMBL13390927 0.86 PKM (0.35) DGAT1PDE5APDE4APDE1APDE1B
SCHEMBL13409480 0.84 DGAT1 (0.36) DGAT1
SCHEMBL13409162 0.82 DGAT1 (0.36) DGAT1
SCHEMBL13409170 0.81 DGAT1 (0.34) DGAT1
SCHEMBL14107591 0.81 ROCK1 (0.36) DGAT1
SCHEMBL13409155 0.81 DGAT1 (0.37) DGAT1
SCHEMBL14107625 0.80 DGAT1 (0.35) DGAT1
SCHEMBL14107592 0.80 DGAT1 (0.35) DGAT1

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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 DGAT1 3856/4885PDE5A 211/4885PDE4A 406/4885

“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.