SCHEMBL6791504

SCHEMBL6791504

CC(C)(C)OC(=O)CC(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
CTSK P43235 4/20 0.47
CTSL P07711 3/20 0.46
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
ELANE P08246 1/20 0.46
ATM Q13315 2/20 0.46
CTRB1 P17538 2/20 0.46
CASP1 P29466 1/20 0.46
PPARA Q07869 1/20 0.45
MAPT P10636 1/20 0.44
CTSD P07339 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
SCHEMBL7063703 0.86 CASP1 (0.55) SYKCTSKCTSLCTSBCTSS
SCHEMBL12330381 0.84 SYK (0.54) SYKCTSKCTSLCTSBCTSS
SCHEMBL6329537 0.84 CTSK (0.57) SYKCTSKCTSLCTSBCTSS
SCHEMBL738204 0.83 SYK (0.54) SYKCTSKCTSLCTSBCTSS
SCHEMBL478316 0.83 SYK (0.54) SYKCTSKCTSLCTSBCTSS
SCHEMBL4904600 0.82 SYK (0.57) SYKCTSKCTSLCTSBCTSS
SCHEMBL14768567 0.82 SYK (0.57) SYKCTSKCTSLCTSBCTSS
SCHEMBL16328282 0.81 ALDH1A1 (0.54) SYKCTSKCTSLCTSBCTSS
SCHEMBL8667196 0.81 TRPM8 (0.54) SYKCTSKCTSLCTSBCTSS
SCHEMBL25721690 0.81 CTSL (0.59) SYKCTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PETER DRAGOVICH S (US) 2004-04-15 US disclosed
US-6649639-B2 Inhibit or block the biological activity of the picornaviral 3C protease. DRAGOVICH PETER S (US) 2003-11-18 US disclosed
EP-0975588-B1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2003-09-03 EP disclosed
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use DRAGOVICH PETER S (US) 2002-03-14 US disclosed
US-6331554-B1 PICORNAVIRUS PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-0975588-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2000-02-02 EP disclosed
US-6020371-A VIRICIDES; PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-02-01 US disclosed
WO-1998043950-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 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 (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-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use RNASEL, RNASE1, GTF3C3 SYK 4827/4885CTSK 390/4885CTSL 96/4885
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PCNA, ZC3HAV1, POLR1C SYK 4513/4885CTSK 1265/4885CTSL 2360/4885

“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.