SCHEMBL7337976

SCHEMBL7337976

CC(C)C1C(=O)N(CSc2nnnn2-c2ccccc2)S(=O)(=O)N1C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.55
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7329786 0.83 ELANE (0.54) ELANEPKMALDH1A1NPC1CYP1A2
SCHEMBL7328809 0.76 ELANE (0.53) ELANEPKMALDH1A1POLB
SCHEMBL7339814 0.74 ELANE (0.53) ELANEPKMALDH1A1POLB
SCHEMBL7337980 0.72 NPSR1 (0.36) ELANEALDH1A1CYP3A4CYP2C19
SCHEMBL7330895 0.72 ELANE (0.54) ELANEPKMALDH1A1POLB
SCHEMBL8600680 0.72 ALDH1A1 (0.51) ELANEPKMALDH1A1NPC1CYP1A2
SCHEMBL7416331 0.71 ELANE (1.00) ELANE
SCHEMBL7310549 0.70 ELANE (1.00) ELANEPKMALDH1A1
SCHEMBL7329890 0.69 KDM4E (0.46) ELANEPKMALDH1A1CYP1A2CYP3A4
SCHEMBL7420488 0.69 ELANE (1.00) ELANE

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
EP-0793494-A4 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0793494-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-10 EP disclosed
WO-1996016649-A1 2-HETEROCYCLYLOXY AND THIOMETHYL-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