SCHEMBL1540167

SCHEMBL1540167

[NH][C@H](CCN1CCOCC1)CSc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
ABL1 P00519 5/20 0.43
BCR P11274 5/20 0.43
BCL2L1 Q07817 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1540168 0.87 EPHX2 (0.45) EPHX2GAAMAPK1MMP2MMP9
SCHEMBL1540629 0.84 SMN1; SMN2 (0.50) POLBALDH1A1
SCHEMBL1539950 0.82 ACHE (0.50) POLB
SCHEMBL1540060 0.80 HSD17B10 (0.48) BCL2L1POLBALDH1A1
SCHEMBL6468986 0.80 HSD17B10 (0.48) BCL2L1POLBALDH1A1
SCHEMBL1539920 0.79 POLB (0.60) GAAMAPK1POLB
SCHEMBL1540290 0.73 SLC6A4 (0.38) MMP2MMP9
SCHEMBL17453734 0.71 ABL1 (0.69) EPHX2GAAMAPK1ABL1BCR
SCHEMBL1540456 0.70 HTT (0.44) GAAALDH1A1
SCHEMBL1540632 0.70 SMN1; SMN2 (0.49) POLBALDH1A1

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 EPHX2 4141/4885GAA 2001/4885MAPK1 3503/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 EPHX2 4141/4885GAA 2001/4885MAPK1 3503/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 EPHX2 4141/4885GAA 2001/4885MAPK1 3503/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 EPHX2 4141/4885GAA 2001/4885MAPK1 3503/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 EPHX2 4141/4885GAA 2001/4885MAPK1 3503/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 EPHX2 4013/4885GAA 2370/4885MAPK1 4335/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 EPHX2 4141/4885GAA 2001/4885MAPK1 3503/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 EPHX2 4141/4885GAA 2001/4885MAPK1 3503/4885
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 EPHX2 4631/4885GAA 3970/4885MAPK1 2702/4885

“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.