SCHEMBL6463193

SCHEMBL6463193

CC(C)(C)OC(=O)NC(CSCc1ccccc1C#N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.62
PPARG P37231 9/20 0.62
PPARD Q03181 2/20 0.60
CTSS P25774 9/20 0.53
CTSK P43235 7/20 0.53
PTPN1 P18031 1/20 0.52
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49

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
SCHEMBL6463195 1.00 PPARA (0.62) PPARAPPARGPPARDCTSSCTSK
SCHEMBL29907919 0.86 CTSS (0.60) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL29842925 0.86 CTSS (0.60) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL3812341 0.86 CTSS (0.60) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL17912348 0.86 CTSS (0.60) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL3812344 0.86 CTSS (0.60) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL9161711 0.84 PPARA (0.67) PPARAPPARGPPARDCTSSCTSK
SCHEMBL5001306 0.82 PPARA (0.62) PPARAPPARGPPARDCTSSCTSK
SCHEMBL5001310 0.82 PPARA (0.62) PPARAPPARGPPARDCTSSCTSK
SCHEMBL11327876 0.82 PPARA (0.65) PPARAPPARGPPARDCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ PPARA 3971/4885PPARG 4143/4885PPARD 3629/4885

“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.