SCHEMBL995704

SCHEMBL995704

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
MAPT P10636 1/20 0.49
CTSK P43235 3/20 0.47
CTSL P07711 3/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 1/20 0.46
ATM Q13315 1/20 0.46
CTRB1 P17538 2/20 0.46
PPARA Q07869 1/20 0.45

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
SCHEMBL1262685 0.90 SYK (0.53) SYKMAPTCTSKCTSLCTSS
SCHEMBL2776833 0.86 PPARA (0.55) SYKCTSKCTSLCTSSCTSB
SCHEMBL42877 0.86 PPARA (0.55) SYKCTSKCTSLCTSSCTSB
SCHEMBL29336406 0.86 SYK (0.55) SYKMAPTCTSKCTSLCTSS
SCHEMBL13570899 0.86 SYK (0.55) SYKMAPTCTSKCTSLCTSS
SCHEMBL9819558 0.86 SYK (0.55) SYKMAPTCTSKCTSLCTSS
SCHEMBL13570900 0.86 SYK (0.55) SYKMAPTCTSKCTSLCTSS
SCHEMBL13494199 0.86 SYK (0.55) SYKMAPTCTSKCTSLCTSS
SCHEMBL12798901 0.86 SYK (0.55) SYKMAPTCTSKCTSLCTSS
SCHEMBL5971174 0.86 PPARA (0.55) 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-2270004-A1 Caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2011-01-05 EP disclosed
US-20100105914-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
US-7652153-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, (S,S)-3-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyrylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED 2010-01-26 US disclosed
EP-1718639-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2006-11-08 EP disclosed
US-20050233979-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 US disclosed
WO-2005085236-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-15 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-20100105914-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 SYK 1326/4885MAPT 2677/4885CTSK 75/4885
US-20050233979-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 SYK 1311/4885MAPT 2434/4885CTSK 67/4885

“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.