SCHEMBL1540191

SCHEMBL1540191

[NH][C@@H](CSc1ccccc1)CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP2 P08253 3/20 0.40
MMP3 P08254 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
CXCL12 P48061 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL1540192 0.81 MAOA (0.52) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL1540560 0.79 MTNR1A (0.45) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL1540157 0.79 MTNR1A (0.49) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL1540430 0.76 MTNR1A (0.47) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL1541345 0.75 MAPT (0.54) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL1540217 0.75 SMN1; SMN2 (0.55) ALDH1A1MAPTKMT2AMAPK1NPC1
SCHEMBL25236742 0.75 MAOA (0.53) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL25274884 0.75 MAOA (0.53) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL1540823 0.74 MTNR1A (0.41) FFAR1MAOAMAOBMTNR1AMTNR1B
SCHEMBL1540331 0.74 RAB9A (0.55) FFAR1MAOBMTNR1AMTNR1BALDH1A1

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 FFAR1 4351/4885MAOA 2958/4885MAOB 2943/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 FFAR1 4351/4885MAOA 2958/4885MAOB 2943/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 FFAR1 4351/4885MAOA 2958/4885MAOB 2943/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 FFAR1 4351/4885MAOA 2958/4885MAOB 2943/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 FFAR1 4351/4885MAOA 2958/4885MAOB 2943/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 FFAR1 3798/4885MAOA 3900/4885MAOB 3134/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 FFAR1 4351/4885MAOA 2958/4885MAOB 2943/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 FFAR1 4351/4885MAOA 2958/4885MAOB 2943/4885
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 FFAR1 3522/4885MAOA 4170/4885MAOB 3740/4885

“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.