SCHEMBL2943573

SCHEMBL2943573

CC1(C)OB(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)cc2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
HCAR3 P49019 3/20 0.50
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
LIMK1 P53667 1/20 0.49
TYRO3 Q06418 1/20 0.49
MAP4K2 Q12851 1/20 0.49
DYRK1A Q13627 1/20 0.49
AURKB Q96GD4 1/20 0.49
FBP1 P09467 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
SCHEMBL2944741 0.81 BCL2L1 (0.45) DYRK1AAURKBBCL2BCL2L1CA1
SCHEMBL2943849 0.80 DYRK1A (0.74) MEN1KMT2ALMNAGPR55HCAR3
SCHEMBL4472393 0.80 DYRK1A (0.74) MEN1KMT2ALMNAGPR55HCAR3
SCHEMBL2951047 0.80 DYRK1A (0.60) MEN1KMT2ALMNAGPR55HCAR3
SCHEMBL2943521 0.78 MEN1 (0.54) MEN1KMT2ALMNAGPR55HCAR3
SCHEMBL2945097 0.76 BCL2L1 (0.73) BCL2BCL2L1
SCHEMBL2951515 0.75 DYRK1A (0.54) MEN1KMT2ALMNAGPR55HCAR3
SCHEMBL29824739 0.74 WNK1 (0.67) MEN1KMT2ALMNAGPR55HCAR3
SCHEMBL17749260 0.74 WNK1 (0.67) MEN1KMT2ALMNAGPR55HCAR3
SCHEMBL1958971 0.73 ALDH3A1 (0.56) MEN1KMT2ALMNAGPR55HCAR3

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 10 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
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP 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
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO 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 MEN1 4542/4885KMT2A 2902/4885LMNA 472/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MEN1 4627/4885KMT2A 2895/4885LMNA 456/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MEN1 4542/4885KMT2A 2902/4885LMNA 472/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MEN1 4816/4885KMT2A 2456/4885LMNA 329/4885

“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.