SCHEMBL1539946

SCHEMBL1539946

[NH][C@@H](CSc1ccccc1)CC(=O)NC1CCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
KMT2A Q03164 5/20 0.59
NPC1 O15118 4/20 0.59
HPGD P15428 6/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
EPHX2 P34913 1/20 0.47
MEN1 O00255 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1540331 0.95 RAB9A (0.55) RAB9AKMT2ANPC1HPGDTSHR
SCHEMBL1539947 0.84 RAB9A (0.59) RAB9AKMT2ANPC1HPGDTSHR
SCHEMBL12931704 0.79 KMT2A (0.91) RAB9AKMT2ANPC1HPGDTSHR
SCHEMBL1540334 0.78 KMT2A (0.55) RAB9AKMT2ANPC1HPGDTSHR
SCHEMBL1540157 0.77 MTNR1A (0.49) CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL2751329 0.76 KMT2A (0.97) RAB9AKMT2ANPC1HPGDTSHR
SCHEMBL12961645 0.75 KMT2A (1.00) RAB9AKMT2ANPC1HPGDTSHR
SCHEMBL1541345 0.74 MAPT (0.54) RAB9AKMT2ANPC1HPGDCYP3A4
SCHEMBL1540191 0.72 FFAR1 (0.48) RAB9AKMT2ANPC1CYP3A4CYP2C19
SCHEMBL12931693 0.72 KMT2A (0.85) RAB9AKMT2ANPC1HPGDTSHR

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 RAB9A 4345/4885KMT2A 4140/4885NPC1 2977/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 RAB9A 4345/4885KMT2A 4140/4885NPC1 2977/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 RAB9A 4345/4885KMT2A 4140/4885NPC1 2977/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 RAB9A 4345/4885KMT2A 4140/4885NPC1 2977/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 RAB9A 4345/4885KMT2A 4140/4885NPC1 2977/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 RAB9A 3654/4885KMT2A 3521/4885NPC1 2502/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 RAB9A 4345/4885KMT2A 4140/4885NPC1 2977/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 RAB9A 4345/4885KMT2A 4140/4885NPC1 2977/4885
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 RAB9A 3670/4885KMT2A 2464/4885NPC1 4257/4885

“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.