SCHEMBL31095647

SCHEMBL31095647

CO[C@H]1CCO[C@H](C(=O)NC(C#N)Cc2cc3sc(-c4ccc5oc(=O)n(C)c5c4)cc3s2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.47
▸ KCNH2 Q12809 2/20 0.40

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
SCHEMBL31758812 0.92 CTSC (0.49) CTSCKCNH2
SCHEMBL31095624 0.91 CTSC (0.44) CTSCKCNH2
SCHEMBL31095829 0.90 CTSC (0.53) CTSCKCNH2
SCHEMBL31095791 0.90 CTSC (0.53) CTSCKCNH2
SCHEMBL31095670 0.90 CTSC (0.52) CTSCKCNH2
SCHEMBL30987123 0.89 CTSC (0.61) CTSCKCNH2
SCHEMBL30987117 0.89 CTSC (0.61) CTSCKCNH2
SCHEMBL31095816 0.86 CTSC (0.59) CTSCKCNH2
SCHEMBL31095797 0.86 CTSC (0.59) CTSCKCNH2
SCHEMBL31095789 0.86 CTSC (0.59) CTSCKCNH2

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
Send feedback