SCHEMBL2946907

SCHEMBL2946907

NS(=O)(=O)c1ccc(NCC23CCC(CNC(=O)O)(CC2)CC3)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.52
PKM P14618 4/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 5/20 0.47
KMT2A Q03164 2/20 0.47
DOT1L Q8TEK3 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GFER P55789 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL2952091 0.84 SMN1; SMN2 (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL6794022 0.82 MAPT (0.46) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL6794026 0.82 SMN1; SMN2 (0.48) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL2943265 0.79 BCL2L1 (0.63)
SCHEMBL2388189 0.78 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL28526212 0.77 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL31286232 0.77 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16037626 0.77 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL22653537 0.77 MAPT (0.48) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL25416367 0.76 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1

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
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-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 MAPT 4851/4885PKM 4646/4885POLB 1110/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4830/4885PKM 4553/4885POLB 859/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4851/4885PKM 4646/4885POLB 1110/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPT 4806/4885PKM 4415/4885POLB 605/4885

“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.