SCHEMBL2985181

SCHEMBL2985181

CCC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
CTSK P43235 8/20 0.50
CTSL P07711 5/20 0.49
CTSS P25774 4/20 0.49
CTSB P07858 2/20 0.49
PPARA Q07869 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
SIRT3 Q9NTG7 1/20 0.47
PPARG P37231 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL3193014 1.00 SYK (0.56) SYKCTSKCTSLCTSSCTSB
SCHEMBL13567913 0.91 PPARA (0.53) SYKCTSKCTSLCTSSCTSB
SCHEMBL19695768 0.91 SYK (0.53) SYKCTSKCTSLCTSSCTSB
SCHEMBL23538215 0.89 SYK (0.56) SYKCTSKCTSLCTSSCTSB
SCHEMBL45541 0.89 SYK (0.56) SYKCTSKCTSLCTSSCTSB
SCHEMBL5970914 0.89 SYK (0.56) SYKCTSKCTSLCTSSCTSB
SCHEMBL9819558 0.88 SYK (0.55) SYKCTSKCTSLCTSSCTSB
SCHEMBL13570900 0.88 SYK (0.55) SYKCTSKCTSLCTSSCTSB
SCHEMBL13570899 0.88 SYK (0.55) SYKCTSKCTSLCTSSCTSB
SCHEMBL14207360 0.88 CTSK (0.63) SYKCTSKCTSLCTSSCTSB

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
EP-2079683-B1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-01-21 EP disclosed
US-7781487-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-08-24 US disclosed
EP-2079683-A2 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS ViroBay, Inc. (US) 2009-07-22 EP disclosed
US-20080214676-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2008-09-04 US disclosed
WO-2008042968-A2 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2008-04-10 WO disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 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 (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-20080214676-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS SYK 2283/4885CTSK 8/4885CTSL 10/4885

“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.