SCHEMBL7311403

SCHEMBL7311403

O=C(O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.85
POLB P06746 3/20 0.70
PFKFB3 Q16875 1/20 0.69
MAPT P10636 1/20 0.68
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.61
SLC16A3 O15427 4/20 0.61
GPR27 Q9NS67 1/20 0.57
PLAU P00749 1/20 0.57

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
SCHEMBL3552787 0.89 SLC16A3 (0.74) AKR1C3POLBPFKFB3MAPTMEN1
SCHEMBL28666883 0.89 AKR1C3 (0.71) AKR1C3MEN1KMT2AALDH1A1LMNA
SCHEMBL788215 0.88 AKR1C3 (0.67) AKR1C3POLBPFKFB3MAPTMEN1
SCHEMBL6079752 0.88 AKR1C3 (0.70) AKR1C3POLBPFKFB3MAPTMEN1
SCHEMBL2825009 0.88 GPR27 (0.74) AKR1C3POLBMAPTMEN1KMT2A
SCHEMBL6078674 0.87 AKR1C3 (0.69) AKR1C3POLBPFKFB3MAPTMEN1
SCHEMBL788335 0.86 TCF4 (0.66) AKR1C3POLBPFKFB3MAPTMEN1
SCHEMBL7782154 0.86 ALDH1A1 (0.77) AKR1C3POLBMAPTMEN1KMT2A
SCHEMBL7313388 0.85 PLAU (0.77) AKR1C3POLBMAPTMEN1KMT2A
SCHEMBL894613 0.85 POLB (0.82) AKR1C3POLBPFKFB3MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436925-B1 BETTER ABLE TO CROSS MEMBRANES; INHIBITORS OF CYSTEINE PROTEASES LIKE CALPAIN I AND II AND CATHEPSIN B AND L, CAN THUS BE USED TO CONTROL DISEASES ASSOCIATED WITH AN ELEVATED ACTIVITY OF CALPAIN ENZYMES OR CATHEPSIN ENZYMES ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6251917-B1 Benzamidoaldehydes and their use as cysteine protease inhibitors BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-6103720-A ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
CN-1245486-A Ketobenzamides as calpain inhibitors BASF AG (DE) 2000-02-23 CN disclosed
CN-1238761-A benzamide aldehydes and their use as cysteine protease inhibitors BASF AG (DE) 1999-12-15 CN disclosed
EP-0831800-A4 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS DIMENSIONAL PHARM INC (US) 1999-03-10 EP disclosed
US-5741819-A THROMBOSIS INHIBITORS; ANTIINFLAMMATORY AGENTS; NEURODEGENERATIVE DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
EP-0831800-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-01 EP disclosed
US-5612378-A TREATING THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS OR INFLAMMATION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-03-18 US disclosed
WO-1996040100-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996039380-A1 BIS-ARYLSULFONYLAMINOBENZAMIDE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-12 WO disclosed