SCHEMBL9054077

SCHEMBL9054077

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.60
CTSK P43235 8/20 0.60
CTSL P07711 7/20 0.60
CTSB P07858 4/20 0.53
ADAMTS4 O75173 2/20 0.50
LARS1 Q9P2J5 1/20 0.49
REN P00797 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
ADAM17 P78536 1/20 0.46
PLAU P00749 1/20 0.44
HPN P05981 1/20 0.44

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
SCHEMBL31086879 0.83 CTSL (0.62) CTSSCTSKCTSLCTSBLARS1
SCHEMBL9055261 0.81 CTSS (0.59) CTSSCTSKCTSLCTSBADAMTS4
SCHEMBL9053962 0.81 CTSK (0.58) CTSSCTSKCTSLCTSBADAMTS4
SCHEMBL15251807 0.80 MMP2 (0.70) CTSSCTSKCTSLADAMTS4LARS1
SCHEMBL6561338 0.80 MMP2 (0.70) CTSSCTSKCTSLADAMTS4LARS1
SCHEMBL5191083 0.80 MMP2 (0.70) CTSSCTSKCTSLADAMTS4LARS1
SCHEMBL16388801 0.78 CTSL (0.57) CTSSCTSKCTSLCTSBADAMTS4
SCHEMBL7400910 0.77 CTSS (0.69) CTSSCTSKCTSLCTSBREN
SCHEMBL8406545 0.77 CTSL (0.56) CTSSCTSKCTSLCTSBADAMTS4
SCHEMBL31086764 0.76 MMP2 (0.71) CTSSCTSKCTSLADAMTS4MMP1

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