SCHEMBL1539951

SCHEMBL1539951

N[C@H](CCN1CCOCC1)CSc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL1539921 0.86 POLB (0.59) POLBLMNA
SCHEMBL25087871 0.86 HSD17B10 (0.48) ACHEPOLBMAPTKMT2ASIGMAR1
SCHEMBL376570 0.86 HSD17B10 (0.48) ACHEPOLBMAPTKMT2ASIGMAR1
SCHEMBL1539950 0.84 ACHE (0.50) ACHEKDM4EPOLBATMMAPT
Hydrochloric Acid SCHEMBL21523430 0.84 HSD17B10 (0.47) POLBMAPTKMT2ASIGMAR1
Hydrochloric Acid SCHEMBL21523427 0.84 HSD17B10 (0.47) POLBMAPTKMT2ASIGMAR1
SCHEMBL1540632 0.83 SMN1; SMN2 (0.49) KDM4EPOLBKMT2A
SCHEMBL1540168 0.82 EPHX2 (0.45) POLB
SCHEMBL25424456 0.81 HSD17B10 (0.47) ACHEPOLBMAPTKMT2ASIGMAR1
SCHEMBL25424454 0.81 HSD17B10 (0.47) ACHEPOLBMAPTKMT2ASIGMAR1

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 ACHE 4498/4885KDM4E 3661/4885POLB 242/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ACHE 4498/4885KDM4E 3661/4885POLB 242/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 ACHE 4498/4885KDM4E 3661/4885POLB 242/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 ACHE 4498/4885KDM4E 3661/4885POLB 242/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ACHE 4498/4885KDM4E 3661/4885POLB 242/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 ACHE 4766/4885KDM4E 2665/4885POLB 530/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 ACHE 4498/4885KDM4E 3661/4885POLB 242/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ACHE 4498/4885KDM4E 3661/4885POLB 242/4885
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 ACHE 3441/4885KDM4E 261/4885POLB 2669/4885

“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.