SCHEMBL1542018

SCHEMBL1542018

NS(=O)(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 2/20 0.70
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GPR55 Q9Y2T6 1/20 0.60
HCAR3 P49019 3/20 0.60
MAPT P10636 8/20 0.58
HTT P42858 2/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
XBP1 P17861 1/20 0.57
RECQL P46063 1/20 0.57
YAP1 P46937 1/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.54
DOT1L Q8TEK3 1/20 0.51

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
SCHEMBL2387562 0.88 WNK1 (0.59) WNK1LMNAMEN1KMT2AGPR55
SCHEMBL1812072 0.87 WNK1 (0.55) WNK1LMNAMEN1KMT2AGPR55
SCHEMBL2481494 0.87 WNK1 (0.56) WNK1LMNAMEN1KMT2AGPR55
SCHEMBL19203959 0.86 WNK1 (0.70) WNK1LMNAMEN1KMT2AGPR55
Hydrochloric Acid SCHEMBL1811060 0.86 WNK1 (0.54) WNK1LMNAMEN1KMT2AGPR55
SCHEMBL1700107 0.85 WNK1 (0.53) WNK1KMT2AHCAR3MAPTHTT
SCHEMBL31286225 0.85 WNK1 (0.53) WNK1KMT2AHCAR3MAPTHTT
SCHEMBL29824739 0.84 WNK1 (0.67) WNK1LMNAMEN1KMT2AGPR55
SCHEMBL17749260 0.84 WNK1 (0.67) WNK1LMNAMEN1KMT2AGPR55
SCHEMBL30467953 0.84 MAPT (0.54) WNK1LMNAKMT2AHCAR3MAPT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
EP-1685119-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2016-03-09 EP disclosed
US-9045444-B2 Apoptosis promoters ABBVIE INC. (US) 2015-06-02 US disclosed
US-20140187531-A1 APOPTOSIS PROMOTERS ABBVIE INC. (US) 2014-07-03 US disclosed
EP-2308812-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-8614318-B2 Apoptosis promoters ABBVIE INC. (US) 2013-12-24 US disclosed
US-20130190488-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2013-07-25 US disclosed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 US disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
US-8084607-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2011-12-27 US disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20040067976-A1 Compounds useful for treating Hepatitis C virus PRIESTLEY ELDON SCOTT (US) 2004-04-08 US disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 WNK1 4484/4885LMNA 472/4885MEN1 4542/4885
US-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 WNK1 3143/4885LMNA 1710/4885MEN1 3281/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 WNK1 4385/4885LMNA 456/4885MEN1 4627/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 WNK1 4484/4885LMNA 472/4885MEN1 4542/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 WNK1 4805/4885LMNA 329/4885MEN1 4483/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 WNK1 4805/4885LMNA 329/4885MEN1 4483/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 WNK1 3143/4885LMNA 1710/4885MEN1 3281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.