SCHEMBL2546240

SCHEMBL2546240

CCC[C@@H](/C=C/C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.48
CTSS P25774 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
SCHEMBL5468267 1.00 CTSK (0.48) CTSKCTSS
SCHEMBL5493959 0.91 CTSK (0.59) CTSK
SCHEMBL5493965 0.91 CTSK (0.59) CTSK
SCHEMBL384008 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL15797176 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL9102463 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL384990 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL9943895 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL27674114 0.84 CTSK (0.55) CTSKCTSS
SCHEMBL9106760 0.83 CTSK (0.47) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014091443-A1 CATHEPSIN C INHIBITORS FOR TREATING CYSTIC FIBROSIS, NON-CYSTIC FIBROSIS BRONCHIECTASIS, AND ANCA-ASSOCIATED VASCULITIS GLAXO GROUP LIMITED (GB) 2014-06-19 WO disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain AGT SCIENCE LIMITED (GB) 2007-05-03 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 (3 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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives BCAT1, BCAT2, AADAT CTSK 3626/4885CTSS 3541/4885
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain PER2, CNR2, OPRD1 CTSK 2839/4885CTSS 3899/4885
US-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS CTSK 8/4885CTSS 3/4885

“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.