SCHEMBL2011835

SCHEMBL2011835

CC(C)(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
KLK7 P49862 3/20 0.52
KLK5 Q9Y337 2/20 0.52
PPARG P37231 2/20 0.52
SYK P43405 1/20 0.52
CTSS P25774 4/20 0.52
CTSK P43235 4/20 0.51
ACE P12821 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL13007476 1.00 PPARA (0.55) PPARAKLK7KLK5PPARGSYK
SCHEMBL3817109 0.95 PPARA (0.55) PPARAKLK7KLK5PPARGSYK
SCHEMBL1517760 0.95 PPARA (0.55) PPARAKLK7KLK5PPARGSYK
SCHEMBL2301376 0.94 PPARA (0.54) PPARAKLK7KLK5PPARGSYK
SCHEMBL17446701 0.94 PPARA (0.54) PPARAKLK7KLK5PPARGSYK
SCHEMBL10587650 0.94 KLK7 (0.54) PPARAKLK7KLK5PPARGSYK
SCHEMBL19020373 0.94 PPARA (0.54) PPARAKLK7KLK5PPARGSYK
SCHEMBL2009896 0.93 PPARA (0.61) PPARAKLK7KLK5PPARGSYK
SCHEMBL376018 0.93 PPARA (0.61) PPARAKLK7KLK5PPARGSYK
SCHEMBL428113 0.93 PPARA (0.61) PPARAKLK7KLK5PPARGSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 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-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL PPARA 299/4885KLK7 4440/4885KLK5 4162/4885

“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.