SCHEMBL30953422

SCHEMBL30953422

C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.37
▸ CTSS P25774 5/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ CTSB P07858 3/20 0.36
▸ CTSK P43235 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL30953350 1.00 CTSL (0.37) CTSLCTSSCASP1CASP3CASP7
SCHEMBL30953265 1.00 CTSL (0.37) CTSLCTSSCASP1CASP3CASP7
SCHEMBL30953034 0.86 CTSL (0.40) CTSLCTSSCTSBCTSKANPEP
SCHEMBL30953017 0.83 IL17A (0.36) KMT2A
SCHEMBL30953154 0.83 CTSL (0.34) CTSLCTSSCTSBCTSKANPEP
SCHEMBL30953347 0.83 IGF1R (0.34) —
SCHEMBL30953483 0.83 IGF1R (0.34) —
SCHEMBL30953027 0.82 IL17A (0.37) —
SCHEMBL30953159 0.82 IL17A (0.40) CTSLCTSBCTSKANPEP
SCHEMBL30953026 0.82 IL17A (0.41) —

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-4630115-A1 THERAPEUTIC COMPOUNDS Sanofi (FR) 2025-10-15 — — EP disclosed
WO-2024121427-A1 THERAPEUTIC COMPOUNDS SANOFI (FR) 2024-06-13 — — WO disclosed
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