SCHEMBL1539921

SCHEMBL1539921

Cc1ccc(SC[C@H](N)CCN2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
FKBP1A P62942 1/20 0.47
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.41
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL1539951 0.86 ACHE (0.49) POLBLMNA
SCHEMBL25087871 0.86 HSD17B10 (0.48) POLBSMN1; SMN2RAB9AFKBP1A
SCHEMBL376570 0.86 HSD17B10 (0.48) POLBSMN1; SMN2RAB9AFKBP1A
SCHEMBL1540632 0.85 SMN1; SMN2 (0.49) POLBSMN1; SMN2RAB9A
SCHEMBL1539920 0.84 POLB (0.60) POLBSMN1; SMN2TP53MAPK1RAB9A
Hydrochloric Acid SCHEMBL21523430 0.84 HSD17B10 (0.47) POLBFKBP1A
Hydrochloric Acid SCHEMBL21523427 0.84 HSD17B10 (0.47) POLBFKBP1A
SCHEMBL25424456 0.81 HSD17B10 (0.47) POLBSMN1; SMN2RAB9AFKBP1A
SCHEMBL25424454 0.81 HSD17B10 (0.47) POLBSMN1; SMN2RAB9AFKBP1A
Hydrochloric Acid SCHEMBL25424490 0.80 HSD17B10 (0.46) POLBSMN1; SMN2RAB9AFKBP1A

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 POLB 242/4885SMN1; SMN2 2412/4885TP53 38/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 POLB 242/4885SMN1; SMN2 2412/4885TP53 38/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 POLB 242/4885SMN1; SMN2 2412/4885TP53 38/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 POLB 242/4885SMN1; SMN2 2412/4885TP53 38/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 POLB 242/4885SMN1; SMN2 2412/4885TP53 38/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 POLB 530/4885SMN1; SMN2 1110/4885TP53 128/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 POLB 242/4885SMN1; SMN2 2412/4885TP53 38/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 POLB 242/4885SMN1; SMN2 2412/4885TP53 38/4885
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 POLB 2669/4885SMN1; SMN2 2635/4885TP53 454/4885

“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.