SCHEMBL1539987

SCHEMBL1539987

CS(=O)(=O)c1ccc(-c2ncccc2CN2CCN(c3ccc(C=O)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
HTR2A P28223 5/20 0.42
HTR1A P08908 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
BCL2 P10415 1/20 0.38
BAK1 Q16611 1/20 0.38
HTR7 P34969 5/20 0.38
HTR6 P50406 3/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 2/20 0.38
METAP1 P53582 1/20 0.38
MAP4K1 Q92918 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL1540269 0.86 HTR2A (0.51) HTR2AHTR1AALDH1A1HTR7HTR6
SCHEMBL1539983 0.86 GPR119 (0.43) GPR119HTR2AHTR1APTGS1PTGS2
SCHEMBL1540119 0.85 DRD4 (0.52) HTR2AHTR1AALDH1A1BCL2BAK1
SCHEMBL1540163 0.85 HTR2A (0.52) HTR2AHTR1AALDH1A1HTR7DRD2
SCHEMBL1540524 0.85 DRD4 (0.54) HTR2AHTR1AHTR7DRD2DRD4
SCHEMBL1540612 0.85 HTR2A (0.43) HTR2AHTR1AALDH1A1TRPV1HTR7
SCHEMBL1541071 0.85 HTR7 (0.54) HTR2AHTR1AALDH1A1TRPV1HTR7
SCHEMBL1540073 0.83 HTR7 (0.56) PTGS2BCL2BAK1HTR7DRD2
SCHEMBL1111852 0.80 PTGS2 (0.49) GPR119PTGS1PTGS2TRPV1HTR6
SCHEMBL19425082 0.75 BCL2 (0.49) TRPV1BCL2BAK1

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
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
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 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 (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 GPR119 2777/4885HTR2A 3715/4885HTR1A 3987/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 GPR119 2777/4885HTR2A 3715/4885HTR1A 3987/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 GPR119 2777/4885HTR2A 3715/4885HTR1A 3987/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 GPR119 2777/4885HTR2A 3715/4885HTR1A 3987/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 GPR119 2777/4885HTR2A 3715/4885HTR1A 3987/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 GPR119 3168/4885HTR2A 4096/4885HTR1A 4483/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 GPR119 2777/4885HTR2A 3715/4885HTR1A 3987/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 GPR119 2777/4885HTR2A 3715/4885HTR1A 3987/4885
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 GPR119 3310/4885HTR2A 4231/4885HTR1A 3506/4885

“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.