SCHEMBL31095613

SCHEMBL31095613

CC(C)(C)OC(=O)N[C@H](C#N)COCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.68
PPARA Q07869 2/20 0.62
CTSK P43235 7/20 0.58
CTSL P07711 6/20 0.58
PPARG P37231 1/20 0.57
CTSB P07858 7/20 0.54
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 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
SCHEMBL12432975 1.00 CTSS (0.68) CTSSPPARACTSKCTSLPPARG
SCHEMBL8438333 0.89 PPARA (0.63) CTSSPPARACTSKCTSLPPARG
SCHEMBL6216751 0.88 CTSB (0.61) CTSSPPARACTSKCTSLPPARG
SCHEMBL6216747 0.88 CTSB (0.61) CTSSPPARACTSKCTSLPPARG
SCHEMBL23416822 0.88 PPARA (0.62) CTSSPPARACTSKCTSLPPARG
SCHEMBL2329795 0.84 CTSS (0.65) CTSSCTSKCTSLCTSB
SCHEMBL2329798 0.84 CTSS (0.65) CTSSCTSKCTSLCTSB
SCHEMBL2131892 0.83 SYK (0.54) CTSSPPARACTSKCTSLCTSB
SCHEMBL15549511 0.83 SYK (0.54) CTSSPPARACTSKCTSLCTSB
SCHEMBL30680013 0.83 SYK (0.54) CTSSPPARACTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 EP disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 WO disclosed