SCHEMBL7328442

SCHEMBL7328442

CC(C)C1NS(=O)(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
CCR5 P51681 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
F2 P00734 1/20 0.36

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
SCHEMBL966910 0.83 CMA1 (0.44) ALDH1A1GAAPOLBMAPTKDM4E
SCHEMBL7332181 0.75 KMT2A (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13879439 0.71 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7329890 0.71 KDM4E (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25095964 0.69 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29256943 0.69 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29256945 0.69 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14085912 0.68 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6305485 0.68 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4107301 0.68 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556909-A PROTEOLYTIC ENZYME INHIBITOR, TREATMENT OF DEGENERATIVE DISEASES, SUCH AS EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI WINTHROP INC. (US) 1996-09-17 US disclosed
US-5541168-A PROTEOLYTIC ENZYME INHIBITORS; DEGENERATIVE DISEASES; RESPIRATORY, SKIN, GENETIC AND GASTROINTESTINAL DISORDERS; ANTIARRTHRITIC AND -INFLAMMATORY AGENTS; GENETIC DISEASES STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
WO-1996016970-A1 SUBSTITUTED 2-(PHOSPHINYLOXYMETHYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed
US-5494925-A TREATING DEGENERATIVE DISORDERS; PROTEOLYTIC ENZYME INHIBITOR STERLING WINTHROP INC. (US) 1996-02-27 US disclosed