SCHEMBL1540157

SCHEMBL1540157

CNC(=O)C[C@@H]([NH])CSc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
FFAR1 O14842 1/20 0.44
ATM Q13315 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PLA2G10 O15496 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL1541345 0.84 MAPT (0.54) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL4905285 0.81 MAOA (0.50) MTNR1AMTNR1BFFAR1ATMSLC6A3
SCHEMBL1540158 0.81 MAOA (0.50) MTNR1AMTNR1BFFAR1ATMSLC6A3
SCHEMBL1540331 0.80 RAB9A (0.55) MTNR1AMTNR1BFFAR1MAOBCYP3A4
SCHEMBL4901823 0.79 MTNR1A (0.50) MTNR1AMTNR1BFFAR1ATMSLC6A3
SCHEMBL1540191 0.79 FFAR1 (0.48) MTNR1AMTNR1BFFAR1MMP2MMP9
SCHEMBL1540560 0.78 MTNR1A (0.45) MTNR1AMTNR1BFFAR1MMP2MMP9
SCHEMBL1539946 0.77 RAB9A (0.59) CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL1540430 0.76 MTNR1A (0.47) MTNR1AMTNR1BFFAR1MMP2MMP9
SCHEMBL11468216 0.74 FFAR1 (0.61) FFAR1SLC6A3ALDH1A1LMNA

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 MTNR1A 2095/4885MTNR1B 2319/4885FFAR1 4351/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MTNR1A 2095/4885MTNR1B 2319/4885FFAR1 4351/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MTNR1A 2095/4885MTNR1B 2319/4885FFAR1 4351/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MTNR1A 2095/4885MTNR1B 2319/4885FFAR1 4351/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MTNR1A 2095/4885MTNR1B 2319/4885FFAR1 4351/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MTNR1A 3683/4885MTNR1B 3250/4885FFAR1 3798/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 MTNR1A 2095/4885MTNR1B 2319/4885FFAR1 4351/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MTNR1A 2095/4885MTNR1B 2319/4885FFAR1 4351/4885
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 MTNR1A 1666/4885MTNR1B 1361/4885FFAR1 3522/4885

“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.