SCHEMBL2952249

SCHEMBL2952249

O=C(NS(=O)(=O)c1ccc(NCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 16/20 0.62
BCL2 P10415 12/20 0.62
DYRK1A Q13627 2/20 0.61
AURKB Q96GD4 2/20 0.61
AURKA O14965 1/20 0.61
PLK1 P53350 1/20 0.61
MARK2 Q7KZI7 1/20 0.61
PLK3 Q9H4B4 1/20 0.61
BAD Q92934 1/20 0.61
MCL1 Q07820 8/20 0.53
BCL2L2 Q92843 1/20 0.49
CHEK1 O14757 1/20 0.49
NTRK1 P04629 1/20 0.49
MET P08581 1/20 0.49
PIM1 P11309 1/20 0.49
LTK P29376 1/20 0.49
GRK5 P34947 1/20 0.49
MAP2K2 P36507 1/20 0.49
CDK8 P49336 1/20 0.49
NEK2 P51955 1/20 0.49

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
SCHEMBL2952750 0.92 BCL2L1 (0.54) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2944693 0.92 BCL2L1 (0.59) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2950847 0.91 BCL2L1 (0.51) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2953391 0.91 BCL2L1 (0.51) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2945360 0.91 BCL2L1 (0.51) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2943520 0.90 BCL2L1 (0.52) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2943800 0.89 BCL2L1 (0.51) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2948953 0.89 BCL2L1 (0.50) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2950846 0.89 BCL2L1 (0.55) BCL2L1BCL2DYRK1AAURKBAURKA
SCHEMBL2948045 0.89 BCL2L1 (0.49) BCL2L1BCL2DYRK1AAURKBAURKA

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 7 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
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 3/4885DYRK1A 4792/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 4/4885BCL2 3/4885DYRK1A 4777/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 5/4885BCL2 3/4885DYRK1A 4792/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR BCL2L1 6/4885BCL2 2/4885DYRK1A 4703/4885

“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.