SCHEMBL6063016

SCHEMBL6063016

[CH2][C@H](C(=O)NC(C#N)c1cccs1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 8/20 0.43
CTSL P07711 2/20 0.39
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.37
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
CTSB P07858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL6649637 0.82 CTSC (0.40) CTSCCTSLTP53LMNACTSS
SCHEMBL6062814 0.82 CTSC (0.40) CTSCCTSLTP53LMNACTSS
SCHEMBL6739717 0.81 CTSC (0.48) CTSCCTSLTP53LMNACTSS
SCHEMBL6063011 0.80 CTSC (0.38) CTSCCTSLTP53LMNACTSS
SCHEMBL7375289 0.73 CTSS (0.48) CTSLCTSSCTSKCTSB
SCHEMBL7664906 0.71 GSK3B (0.44) CTSCLMNATSHRALDH1A1
SCHEMBL7666709 0.71 ALOX5 (0.38) CTSCCTSLTP53LMNATSHR
SCHEMBL7701579 0.70 ALOX5 (0.43) CTSCCTSLTP53LMNACYP3A4
SCHEMBL7379125 0.70 CTSS (0.45) CTSLCTSSCTSKCTSB
SCHEMBL31338919 0.69 GLA (0.39) CTSCCTSLLMNACYP3A4CYP2D6

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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed