SCHEMBL1543218

SCHEMBL1543218

CC(S)CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.51
▸ CTSS P25774 6/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ PPARA Q07869 6/20 0.45
▸ PPARG P37231 5/20 0.45
▸ CAPN1 P07384 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ PPARD Q03181 2/20 0.43
▸ CYP2D6 P10635 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
SCHEMBL17559 0.86 CTSL (0.66) CTSKCTSSCTSLCTSBCA1
SCHEMBL66243 0.86 CTSL (0.66) CTSKCTSSCTSLCTSBCA1
SCHEMBL17560 0.86 CTSL (0.66) CTSKCTSSCTSLCTSBCA1
SCHEMBL29019455 0.85 CTSS (0.47) CTSKCTSSCTSLCTSBCA1
Water SCHEMBL645995 0.85 CTSS (0.68) CTSKCTSSCTSLCTSBCA1
SCHEMBL7066210 0.85 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1
SCHEMBL13263380 0.85 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1
Water SCHEMBL11331808 0.85 CTSS (0.68) CTSKCTSSCTSLCTSBCA1
SCHEMBL20745305 0.85 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1
SCHEMBL1319454 0.85 NAALAD2 (0.59) CTSKCTSSCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 — — EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 — — US disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 — — WO disclosed
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 — — EP disclosed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 — — EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 CTSK 1441/4885CTSS 1116/4885CTSL 1275/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS CTSK 2701/4885CTSS 3678/4885CTSL 1072/4885

“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.

Send feedback