SCHEMBL2945097

SCHEMBL2945097

CC1(C)OB(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)OC1(C)C

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 19/20 0.73
BCL2 P10415 16/20 0.73
MCL1 Q07820 13/20 0.73
BAK1 Q16611 1/20 0.63

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
SCHEMBL2952094 0.87 BCL2L1 (0.73) BCL2L1BCL2MCL1BAK1
SCHEMBL29793079 0.86 BCL2L1 (0.93) BCL2L1BCL2MCL1BAK1
SCHEMBL10222702 0.86 BCL2L1 (0.93) BCL2L1BCL2MCL1BAK1
SCHEMBL2952759 0.85 BCL2L1 (0.90) BCL2L1BCL2MCL1BAK1
SCHEMBL2947758 0.84 BCL2L1 (0.84) BCL2L1BCL2MCL1BAK1
SCHEMBL2948392 0.83 BCL2L1 (0.83) BCL2L1BCL2MCL1
SCHEMBL2948393 0.83 BCL2L1 (0.83) BCL2L1BCL2MCL1
SCHEMBL28159982 0.82 BCL2 (1.00) BCL2L1BCL2MCL1
SCHEMBL2944351 0.82 BCL2L1 (1.00) BCL2L1BCL2MCL1BAK1
SCHEMBL2945309 0.81 BCL2L1 (0.76) BCL2L1BCL2MCL1BAK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 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 (4 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 3/4885MCL1 14/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 4/4885BCL2 3/4885MCL1 11/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 5/4885BCL2 3/4885MCL1 14/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR BCL2L1 6/4885BCL2 2/4885MCL1 13/4885

“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.