SCHEMBL7450374

SCHEMBL7450374

COc1nsc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.50
CTSB P07858 4/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CAPN1 P07384 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
REN P00797 1/20 0.49
TACR1 P25103 2/20 0.48

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
SCHEMBL27493280 1.00 CTSL (0.50) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7409774 0.93 CTSL (0.54) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7600349 0.80 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL17959489 0.78 CAPN1 (0.72) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL17959487 0.78 CAPN1 (0.72) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL10969199 0.78 CAPN1 (0.72) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7357689 0.78 MMP1 (0.68)
SCHEMBL7357677 0.78 MMP1 (0.68)
SCHEMBL7911708 0.78 CTSL (0.65) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL10969130 0.78 CTSL (0.65) CTSLCTSBCTSSCTSKCAPN1

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
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed
EP-1058690-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2000-12-13 EP disclosed
WO-1999045027-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 1999-09-10 WO disclosed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN disclosed