SCHEMBL9055261

SCHEMBL9055261

CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.59
CTSK P43235 8/20 0.59
CTSL P07711 7/20 0.59
CTSB P07858 4/20 0.52
LARS1 Q9P2J5 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP3 P08254 2/20 0.47
MMP7 P09237 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
ADAM17 P78536 1/20 0.45
REN P00797 1/20 0.43
ADAMTS4 O75173 2/20 0.43
PLAU P00749 1/20 0.43
HPN P05981 1/20 0.43

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
SCHEMBL9054507 0.87 ADAM17 (0.50) CTSSCTSKCTSLCTSBLARS1
SCHEMBL31086879 0.82 CTSL (0.62) CTSSCTSKCTSLCTSBLARS1
SCHEMBL9054077 0.81 CTSS (0.60) CTSSCTSKCTSLCTSBLARS1
SCHEMBL7030175 0.81 CTSL (0.60) CTSSCTSKCTSLCTSB
SCHEMBL7030169 0.81 CTSL (0.60) CTSSCTSKCTSLCTSB
SCHEMBL7030165 0.81 CTSL (0.60) CTSSCTSKCTSLCTSB
SCHEMBL9053962 0.80 CTSK (0.58) CTSSCTSKCTSLCTSBLARS1
SCHEMBL7026771 0.79 CTSS (0.60) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL7026768 0.79 CTSS (0.60) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL15251807 0.79 MMP2 (0.70) CTSSCTSKCTSLLARS1MMP1

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-0623627-B1 Sulfonamide derivatives MITSUBISHI CHEM CORP (JP) 1996-11-13 EP disclosed
US-5506243-A CYSTEINE PROTEASE INHIBITOR MITSUBISHI KASEI CORPORATION (JP) 1996-04-09 US disclosed
EP-0623627-A1 Sulfonamide derivatives Mitsubishi Chemical Corporation (JP) 1994-11-09 EP disclosed