SCHEMBL7464643

SCHEMBL7464643

CN1[C@@H](Cc2ccccc2)C(=O)N(CF)S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
CES2 O00748 2/20 0.38
ELANE P08246 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
CAPN1 P07384 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP2 P08253 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EP300 Q09472 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL7419055 0.85 GFER (0.41) GFERMMP1MMP3MMP9CES2
SCHEMBL7465763 0.81 EP300 (0.44) ELANELMNACYP1A2CYP2C9CYP2C19
SCHEMBL7423743 0.81 GFER (0.38) GFERMMP1MMP3MMP9CES2
SCHEMBL7335115 0.73 ELANE (0.53) MMP1MMP3MMP9ELANELMNA
SCHEMBL7471550 0.73 PLA2G10 (0.50) PLA2G10PLA2G5KMT2A
SCHEMBL7594146 0.72 ELANE (0.75) ELANE
SCHEMBL23873935 0.70 CAPN1 (0.67) GFERMMP1MMP3MMP9CES2
SCHEMBL25937447 0.70 CAPN1 (0.67) GFERMMP1MMP3MMP9CES2
SCHEMBL7472990 0.69 HSD11B1 (0.41) LMNACYP1A2CYP2C9CYP2C19RECQL
SCHEMBL7462751 0.69 GAA (0.41) PLA2G10PLA2G5LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739338-B1 SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE UNIV WICHITA STATE (US) 2002-04-10 EP disclosed
EP-0739338-A4 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE UNIV WICHITA STATE (US) 1997-03-26 EP disclosed
EP-0739338-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1996-10-30 EP disclosed
US-5550139-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT THE WICHITA STATE UNIVERSITY (US) 1996-08-27 US disclosed
WO-1995018797-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1995-07-13 WO disclosed