SCHEMBL680873

SCHEMBL680873

CN(C)CC[C@H](CSc1ccccc1)Nc1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 17/20 0.91
BCL2 P10415 9/20 0.91
BAD Q92934 2/20 0.91
MDM4 O15151 1/20 0.91
BCL2L11 O43521 1/20 0.91
TP53 P04637 1/20 0.91
BID P55957 1/20 0.91
BAX Q07812 1/20 0.91
MCL1 Q07820 1/20 0.91
ASPH Q12797 1/20 0.91
BECN1 Q14457 1/20 0.91
BAK1 Q16611 1/20 0.91
BCL2L2 Q92843 1/20 0.91
BBC3 Q9BXH1 1/20 0.91
HDAC3 O15379 2/20 0.80
HDAC4 P56524 2/20 0.80
HDAC1 Q13547 2/20 0.80
HDAC7 Q8WUI4 2/20 0.80
HDAC2 Q92769 2/20 0.80
HDAC10 Q969S8 2/20 0.80

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
Abt 737 SCHEMBL158942 0.95 BCL2L1 (1.00) BCL2L1BCL2BADMDM4BCL2L11
Abt 737 SCHEMBL170470 0.95 BCL2L1 (1.00) BCL2L1BCL2BADMDM4BCL2L11
Abt 737 SCHEMBL29355185 0.95 BCL2L1 (1.00) BCL2L1BCL2BADMDM4BCL2L11
Abt 737 SCHEMBL1541072 0.95 BCL2L1 (1.00) BCL2L1BCL2BADMDM4BCL2L11
SCHEMBL1540670 0.92 BCL2L1 (0.93) BCL2L1BCL2BADMDM4BCL2L11
SCHEMBL21104306 0.92 BCL2L1 (0.85) BCL2L1BCL2BADMDM4BCL2L11
SCHEMBL19425256 0.92 BAD (0.83) BCL2L1BCL2BADMDM4BCL2L11
SCHEMBL19425257 0.92 BAD (0.83) BCL2L1BCL2BADMDM4BCL2L11
SCHEMBL1540214 0.92 BCL2L1 (0.92) BCL2L1BCL2BADMDM4BCL2L11
SCHEMBL1540387 0.91 BCL2L1 (0.92) BCL2L1BCL2BADMDM4BCL2L11

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 51 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 claimed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 US claimed
US-20110256129-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2011-10-20 US claimed
EP-3331546-B1 CXCR4 INHIBITOR FOR THE TREATMENT OF CANCER BIOKINE THERAPEUTICS LTD (IL) 2023-10-04 EP disclosed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20180221393-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES KREOS CAPITAL V (EXPERT FUND) L.P. (JE) 2018-08-09 US disclosed
EP-3331546-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES Biokine Therapeutics Ltd. (IL) 2018-06-13 EP disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
WO-2017021963-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES BIOKINE THERAPEUTICS LTD. (IL) 2017-02-09 WO disclosed
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
WO-2009049841-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 WO disclosed
US-20090098118-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT ROCHE GLYCART AG (CH) 2009-04-16 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080182845-A1 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-07-31 US disclosed
US-20080076779-A1 Reducing platelets in mammals blood and preventing/treating pro-thrombotic conditions and diseases via inhibitors of anti-apoptotic Bcl-2 family protein members ABBVIE INC. 2008-03-27 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-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 (12 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 BCL2L1 953/4885BCL2 520/4885BAD 421/4885
US-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 BCL2L1 10/4885BCL2 2/4885BAD 5/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 BCL2L1 358/4885BCL2 59/4885BAD 36/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 BCL2L1 10/4885BCL2 2/4885BAD 5/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 BCL2L1 20/4885BCL2 4/4885BAD 7/4885
US-20080076779-A1 Reducing platelets in mammals blood and preventing/treating pro-thrombotic conditions and diseases via inhibitors of anti-apoptotic Bcl-2 family protein members BCL2, BAX, BCLAF1 BCL2L1 7/4885BCL2 1/4885BAD 10/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA BCL2L1 464/4885BCL2 132/4885BAD 16/4885
US-20180221393-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES CXCL12, CXCR4, CXCR1 BCL2L1 21/4885BCL2 14/4885BAD 30/4885
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 BCL2L1 3/4885BCL2 4/4885BAD 9/4885
US-20090098118-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT BAK1, BCL2, BCL3 BCL2L1 7/4885BCL2 2/4885BAD 6/4885
US-20080182845-A1 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION BST2, HLA-C, HLA-B BCL2L1 233/4885BCL2 94/4885BAD 445/4885
US-20110256129-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 BCL2L1 10/4885BCL2 2/4885BAD 5/4885

“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.