SCHEMBL3586431

SCHEMBL3586431

CC(C)(C)OC(=O)NCCC(N)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
CTSS P25774 4/20 0.55
PPARG P37231 1/20 0.50
SYK P43405 1/20 0.49
IDO1 P14902 1/20 0.48
MAPT P10636 1/20 0.46
CTSK P43235 3/20 0.46
SLC1A1 P43005 2/20 0.46
SLC1A3 P43003 1/20 0.46
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR1 P25103 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL3580162 0.93 PPARA (0.53) PPARACTSSPPARGSYKIDO1
SCHEMBL3594234 0.93 PPARA (0.53) PPARACTSSPPARGSYKIDO1
SCHEMBL3585044 0.92 MAPT (0.53) PPARACTSSPPARGSYKIDO1
SCHEMBL3580907 0.92 MAPT (0.53) PPARACTSSPPARGSYKIDO1
SCHEMBL12452003 0.85 IDO1 (0.52) CTSSSYKIDO1CTSKKLK5
SCHEMBL3580353 0.82 MEN1 (0.53) PPARACTSSPPARGSYKIDO1
SCHEMBL17878734 0.81 SYK (0.56) PPARACTSSSYKIDO1MAPT
SCHEMBL23657108 0.81 PPARA (0.55) PPARACTSSPPARGSYKIDO1
SCHEMBL506649 0.80 IDO1 (0.62) PPARACTSSPPARGSYKIDO1
SCHEMBL19057328 0.80 SYK (0.52) SYKIDO1MAPTSLC1A1SLC1A3

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 PPARA 2254/4885CTSS 1568/4885PPARG 1668/4885

“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.