SCHEMBL1539942

SCHEMBL1539942

CCN(CC[C@@H](N)CSc1ccccc1)CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 1/20 0.34
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
SLC2A1 P11166 1/20 0.31
SLC6A9 P48067 1/20 0.30

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
SCHEMBL1540481 0.87 MAOA (0.51) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL19145390 0.87 MAOA (0.51) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL1539940 0.84 MAOA (0.36) MAOAMAOBSIGMAR1NR3C1PGR
SCHEMBL25714994 0.81 MAOA (0.45) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL1540505 0.80 MAOA (0.50) MAOAMAOBSIGMAR1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL25227446 0.80 MAOA (0.44) MAOAMAOBSIGMAR1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL31570828 0.80 MAOA (0.44) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL1540101 0.78 MAOA (0.55) MAOAMAOBSIGMAR1MTNR1AMTNR1B
SCHEMBL1541274 0.75 MAOA (0.55) MAOAMAOBMTNR1AMTNR1B
SCHEMBL385308 0.75 MAOA (0.55) MAOAMAOBMTNR1AMTNR1B

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 24 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
EP-2308812-A2 N-acylsulfonamide apoptosis promoters Abbott Laboratories (US) 2011-04-13 EP disclosed
US-20100240715-A1 Apoptosis promoters ABBOTT LABORATORIES 2010-09-23 US disclosed
US-7767684-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-08-03 US disclosed
US-20100022773-A1 APOPTOSIS PROMOTERS ABBVIE INC. 2010-01-28 US disclosed
US-7642260-B2 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES, INC. (US) 2010-01-05 US disclosed
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20070015787-A1 Apoptosis promoters ABBVIE INC. 2007-01-18 US disclosed
US-20060258657-A1 Apoptosis promoters ABBVIE INC. 2006-11-16 US disclosed
US-20060128706-A1 Apoptosis promoters ABBVIE INC. 2006-06-15 US disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 US 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 (9 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-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MAOA 3900/4885MAOB 3134/4885SIGMAR1 3940/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885SIGMAR1 3492/4885
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide BCL2A1, BAX, BCL2L1 MAOA 4170/4885MAOB 3740/4885SIGMAR1 2874/4885

“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.