SCHEMBL2942415

SCHEMBL2942415

O=C(NS(=O)(=O)c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 17/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCL2L1 Q07817 6/20 0.49
AURKA O14965 1/20 0.48
PLK1 P53350 1/20 0.48
DYRK1A Q13627 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
AURKB Q96GD4 1/20 0.48
PLK3 Q9H4B4 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
SCHEMBL2951515 0.88 DYRK1A (0.54) BCL2BCL2L1AURKAPLK1DYRK1A
SCHEMBL2951985 0.86 BCL2L1 (0.62) BCL2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2950179 0.84 BCL2L1 (0.49) BCL2BCL2L1AURKAPLK1DYRK1A
SCHEMBL14655243 0.83 MAPT (0.59) BCL2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5743504 0.81 BCL2 (0.50) BCL2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2947347 0.79 ALDH1A1 (0.46) BCL2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2942495 0.79 BCL2 (0.57) BCL2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29855685 0.79 BCL2L1 (0.58) BCL2BCL2L1AURKAPLK1DYRK1A
SCHEMBL2942372 0.78 ALDH1A1 (0.49) BCL2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2386889 0.77 ALDH1A1 (0.47) BCL2ALDH1A1MAPTHTTSMN1; SMN2

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 BCL2 3/4885ALDH1A1 2651/4885MAPT 4851/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2 3/4885ALDH1A1 2460/4885MAPT 4830/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 BCL2 3/4885ALDH1A1 2651/4885MAPT 4851/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR BCL2 2/4885ALDH1A1 3404/4885MAPT 4806/4885

“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.