SCHEMBL7471833

SCHEMBL7471833

C[C@](NC(=O)CCc1ccccc1)(C(=O)N[C@@H]1C(=O)N[C@@H]1S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
UTS2R Q9UKP6 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
PPARD Q03181 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL7479457 0.84 CTSL (0.40) CTSLCTSSCTSKPOLBGAA
SCHEMBL7448890 0.83 CTSK (0.43) CTSLCTSSCTSKPOLBGAA
SCHEMBL7448530 0.83 CTSK (0.42) CTSLCTSSCTSKPOLBGAA
SCHEMBL7472071 0.81 POLB (0.34) POLBGAACYP2C19UTS2RALDH1A1
SCHEMBL7473512 0.79 CTSK (0.37) CTSLCTSSCTSKPOLBGAA
SCHEMBL7443864 0.76 TPH1 (0.40) CTSLCTSSCTSKPOLBGAA
SCHEMBL7471828 0.76 CTSK (0.61) CTSLCTSSCTSKHDAC8
SCHEMBL7448507 0.73 KMT2A (0.42) CTSLCTSSCTSKPOLBGAA
SCHEMBL7475989 0.70 CTSK (0.54) CTSLCTSSCTSK
SCHEMBL10895418 0.69 CTSL (0.55) CTSLCTSSCTSKPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed