SCHEMBL4035776

SCHEMBL4035776

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 5/20 0.49
CASP1 P29466 3/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 2/20 0.46
SIRT3 Q9NTG7 1/20 0.46
CTSB P07858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 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 1.00 CTSL (0.50) CTSLCTSSCTSKCASP1CA12
SCHEMBL4035564 0.88 CTSL (0.52) CTSLCTSSCTSKCASP1CA12
SCHEMBL4035562 0.88 CTSL (0.52) CTSLCTSSCTSKCASP1CA12
SCHEMBL1290957 0.86 CTSL (0.52) CTSLCTSSCTSKCASP1SIRT2
SCHEMBL1290959 0.86 CTSL (0.52) CTSLCTSSCTSKCASP1SIRT2
SCHEMBL4031080 0.86 SIRT2 (0.48) CTSLCTSSCTSKCASP1SIRT2
SCHEMBL6139194 0.83 CTSL (0.61) CTSLCTSSCTSKCASP1CTSB
SCHEMBL27616333 0.83 CTSL (0.61) CTSLCTSSCTSKCASP1CTSB
SCHEMBL4031076 0.83 CTSL (0.47) CTSLCTSSCTSKCASP1SIRT2
SCHEMBL29399827 0.82 CTSL (0.54) CTSLCTSSCTSKSIRT2SIRT1

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 CTSL 172/4885CTSS 264/4885CTSK 456/4885
US-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE SI, DNPEP, SPINT2 CTSL 188/4885CTSS 163/4885CTSK 184/4885

“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.