SCHEMBL2949355

SCHEMBL2949355

O=C(NS(=O)(=O)c1cc(-c2ccccc2)c(NC2CCCCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.56
AURKB Q96GD4 2/20 0.56
CHEK1 O14757 1/20 0.56
NTRK1 P04629 1/20 0.56
MET P08581 1/20 0.56
PIM1 P11309 1/20 0.56
LTK P29376 1/20 0.56
GRK5 P34947 1/20 0.56
MAP2K2 P36507 1/20 0.56
CDK8 P49336 1/20 0.56
NEK2 P51955 1/20 0.56
LIMK1 P53667 1/20 0.56
TYRO3 Q06418 1/20 0.56
MAP4K2 Q12851 1/20 0.56
BCL2L1 Q07817 11/20 0.51
BCL2 P10415 7/20 0.51
MCL1 Q07820 4/20 0.46
AURKA O14965 1/20 0.44
PLK1 P53350 1/20 0.44
MARK2 Q7KZI7 1/20 0.44

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
SCHEMBL4472393 0.83 DYRK1A (0.74) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2943849 0.83 DYRK1A (0.74) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2942323 0.78 BCL2L1 (0.48) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2952547 0.78 WNK1 (0.46) MEN1LMNAKMT2AGPR55HCAR3
SCHEMBL2942571 0.75 BCL2L1 (0.47) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2951047 0.74 DYRK1A (0.60) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2947360 0.74 BCL2L1 (0.62) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2947362 0.74 BCL2L1 (0.62) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2948746 0.74 BCL2L1 (0.62) DYRK1AAURKBCHEK1NTRK1MET
SCHEMBL2948743 0.74 BCL2L1 (0.62) DYRK1AAURKBCHEK1NTRK1MET

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 DYRK1A 4792/4885AURKB 2172/4885CHEK1 3294/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 DYRK1A 4777/4885AURKB 1847/4885CHEK1 3163/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 DYRK1A 4792/4885AURKB 2172/4885CHEK1 3294/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR DYRK1A 4703/4885AURKB 1319/4885CHEK1 3020/4885

“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.