SCHEMBL1541345

SCHEMBL1541345

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.43
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 1/20 0.40
PLA2G10 O15496 1/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 1/20 0.39
MAOA P21397 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
SCHEMBL1540157 0.84 MTNR1A (0.49) MTNR1AMTNR1BFFAR1LMNAPLA2G10
SCHEMBL1541346 0.83 MAPT (0.50) MAPTMTNR1AMTNR1BSMN1; SMN2HPGD
SCHEMBL1540823 0.76 MTNR1A (0.41) MTNR1AMTNR1BFFAR1KDM4EPLA2G10
SCHEMBL1540331 0.76 RAB9A (0.55) MTNR1AMTNR1BSMN1; SMN2HPGDFFAR1
SCHEMBL1540191 0.75 FFAR1 (0.48) MAPTMTNR1AMTNR1BFFAR1RAB9A
SCHEMBL1540560 0.75 MTNR1A (0.45) MAPTMTNR1AMTNR1BSMN1; SMN2FFAR1
SCHEMBL1539946 0.74 RAB9A (0.59) SMN1; SMN2HPGDLMNARAB9ANPC1
SCHEMBL1540430 0.72 MTNR1A (0.47) MAPTMTNR1AMTNR1BSMN1; SMN2FFAR1
SCHEMBL29047082 0.72 MAPT (0.71) MAPTHPGDLMNAKDM1ANPC1
SCHEMBL6024362 0.69 MAOA (0.53) MAPTMTNR1AMTNR1BSMN1; SMN2HPGD

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 MAPT 4100/4885MTNR1A 2095/4885MTNR1B 2319/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAPT 4100/4885MTNR1A 2095/4885MTNR1B 2319/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MAPT 4100/4885MTNR1A 2095/4885MTNR1B 2319/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MAPT 4100/4885MTNR1A 2095/4885MTNR1B 2319/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAPT 4100/4885MTNR1A 2095/4885MTNR1B 2319/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MAPT 4640/4885MTNR1A 3683/4885MTNR1B 3250/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 MAPT 4100/4885MTNR1A 2095/4885MTNR1B 2319/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAPT 4100/4885MTNR1A 2095/4885MTNR1B 2319/4885
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 MAPT 4463/4885MTNR1A 1666/4885MTNR1B 1361/4885

“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.