SCHEMBL4031080

SCHEMBL4031080

CCOC(=O)[C@H](CCS(=O)(=O)NNc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.48
SIRT1 Q96EB6 6/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 2/20 0.47
CASP1 P29466 2/20 0.46
SIRT3 Q9NTG7 4/20 0.46
IDO1 P14902 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL4035779 0.86 CTSL (0.50) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL4035776 0.86 CTSL (0.50) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL1290959 0.83 CTSL (0.52) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL1290957 0.83 CTSL (0.52) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL4035564 0.83 CTSL (0.52) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL4035562 0.83 CTSL (0.52) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL27616333 0.80 CTSL (0.61) CTSLCTSSCTSKCASP1
SCHEMBL6139194 0.80 CTSL (0.61) CTSLCTSSCTSKCASP1
SCHEMBL29399827 0.79 CTSL (0.54) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL2064385 0.78 CTSL (0.53) SIRT2SIRT1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-12-17 US disclosed
US-7605150-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-10-20 US disclosed
EP-1507549-A4 DRUG THERAPY FOR CELIAC SPRUE UNIV LELAND STANFORD JUNIOR (US) 2009-07-01 EP disclosed
US-20060035838-A1 Drug therapy for celiac sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-02-16 US disclosed
EP-1507549-A2 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2005-02-23 EP disclosed
WO-2003096979-A2 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2003-11-27 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 (2 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-20060035838-A1 Drug therapy for celiac sprue SI, TMPRSS15, DNPEP SIRT2 2408/4885SIRT1 1928/4885CTSL 172/4885
US-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE SI, DNPEP, SPINT2 SIRT2 3299/4885SIRT1 3286/4885CTSL 188/4885

“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.