SCHEMBL4473072

SCHEMBL4473072

CC(C)(C)OCC(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
MAPT P10636 10/20 0.47
PKM P14618 4/20 0.47
POLB P06746 2/20 0.47
DOT1L Q8TEK3 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.43
BDKRB1 P46663 1/20 0.42
GAA P10253 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2941879 0.89 MAPT (0.50) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL2949549 0.83 BCL2L1 (0.57) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL2951004 0.80 BCL2L1 (0.65) BCL2L1
SCHEMBL6991148 0.79 BCL2L1 (0.57) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL2949663 0.79 BCL2L1 (0.69) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL2943101 0.76 MAPT (0.55) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL1542077 0.74 MAPT (0.58) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL17937459 0.72 BCL2L1 (0.65) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL1113832 0.72 BCL2L1 (0.64) BCL2L1MAPTPKMPOLBDOT1L
SCHEMBL6987511 0.72 BCL2L1 (0.54) BCL2L1MAPTPKMPOLBDOT1L

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-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 (3 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 5/4885MAPT 4851/4885PKM 4646/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 4/4885MAPT 4830/4885PKM 4553/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2L1 5/4885MAPT 4851/4885PKM 4646/4885

“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.