SCHEMBL24530156

SCHEMBL24530156

CC(C)(C)C[C@H](NC(=O)CC(c1ccccc1)C(F)(F)F)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53

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
SCHEMBL27169735 1.00 CTSL (0.53) CTSLCTSB
SCHEMBL24530255 1.00 CTSL (0.53) CTSLCTSB
SCHEMBL24530247 1.00 CTSL (0.53) CTSLCTSB
SCHEMBL27169741 1.00 CTSL (0.53) CTSLCTSB
SCHEMBL24530254 0.90 CTSL (0.57) CTSLCTSB
SCHEMBL29679065 0.90 CTSL (0.57) CTSLCTSB
SCHEMBL27169608 0.90 CTSL (0.57) CTSLCTSB
SCHEMBL27169695 0.90 CTSL (0.57) CTSLCTSB
SCHEMBL27169610 0.90 CTSL (0.57) CTSLCTSB
SCHEMBL24530249 0.88 CTSL (0.54) CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263502-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-10-25 — — EP disclosed
WO-2022129953-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 — — WO disclosed
WO-2022129953-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 — — WO disclosed
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