SCHEMBL553976

SCHEMBL553976

NS(=O)(=O)c1ccc(N[C@@H](CSc2ccccc2)CC(=O)N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 19/20 0.70
BCL2 P10415 14/20 0.55
BCL2L2 Q92843 7/20 0.55
MCL1 Q07820 1/20 0.51
DOT1L Q8TEK3 1/20 0.48
ALB P02768 1/20 0.48

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
SCHEMBL2951512 1.00 BCL2L1 (0.70) BCL2L1BCL2BCL2L2MCL1DOT1L
SCHEMBL553977 1.00 BCL2L1 (0.70) BCL2L1BCL2BCL2L2MCL1DOT1L
SCHEMBL2950007 0.91 BCL2L1 (0.63) BCL2L1BCL2BCL2L2DOT1LALB
SCHEMBL2951517 0.87 BCL2L1 (0.65) BCL2L1BCL2BCL2L2MCL1DOT1L
SCHEMBL2946725 0.87 BCL2L1 (0.65) BCL2L1BCL2BCL2L2MCL1DOT1L
SCHEMBL2945668 0.85 BCL2L1 (0.72) BCL2L1BCL2BCL2L2DOT1LALB
SCHEMBL2952163 0.85 BCL2L1 (0.72) BCL2L1BCL2BCL2L2DOT1LALB
SCHEMBL1957630 0.85 BCL2L1 (0.72) BCL2L1BCL2BCL2L2DOT1LALB
SCHEMBL1957631 0.85 BCL2L1 (0.72) BCL2L1BCL2BCL2L2DOT1LALB
SCHEMBL555322 0.85 BCL2L1 (0.72) BCL2L1BCL2BCL2L2MCL1ALB

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882439-B1 APOPTOSIS-INDUCING AGENTS ABBVIE INC (US) 2018-04-11 EP disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-8883784-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2014-11-11 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (8 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 5/4885BCL2 3/4885BCL2L2 19/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 4/4885BCL2 3/4885BCL2L2 18/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 5/4885BCL2 3/4885BCL2L2 19/4885
US-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX BCL2L1 2/4885BCL2 1/4885BCL2L2 5/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR BCL2L1 6/4885BCL2 2/4885BCL2L2 12/4885
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX BCL2L1 5/4885BCL2 2/4885BCL2L2 9/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX BCL2L1 2/4885BCL2 1/4885BCL2L2 5/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX BCL2L1 2/4885BCL2 1/4885BCL2L2 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.