SCHEMBL3209286

SCHEMBL3209286

CON(C)C(=O)CCC(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
CTSK P43235 9/20 0.47
CTSS P25774 5/20 0.46
CTSL P07711 4/20 0.46
CTSB P07858 4/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
KYNU Q16719 1/20 0.44
PPARA Q07869 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL3209279 1.00 SYK (0.49) SYKCTSKCTSSCTSLCTSB
SCHEMBL2707957 0.92 PPARA (0.49) SYKCTSKCTSSCTSLCTSB
SCHEMBL14985678 0.92 PPARA (0.49) SYKCTSKCTSSCTSLCTSB
SCHEMBL203729 0.92 PPARA (0.49) SYKCTSKCTSSCTSLCTSB
SCHEMBL2345022 0.89 SYK (0.51) SYKCTSKCTSSCTSLCTSB
SCHEMBL2345024 0.89 SYK (0.51) SYKCTSKCTSSCTSLCTSB
SCHEMBL4313271 0.88 FOLH1 (0.52) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL4313267 0.88 FOLH1 (0.52) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL2578492 0.85 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL7215282 0.85 SYK (0.54) SYKCTSKCTSSCTSLCTSB

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 3 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
US-20080214676-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2008-09-04 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 (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 8/4885CTSS 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.