SCHEMBL2947780

SCHEMBL2947780

O=C(NS(=O)(=O)c1ccc(NCCSc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.87
PLK1 P53350 1/20 0.87
DYRK1A Q13627 1/20 0.87
MARK2 Q7KZI7 1/20 0.87
AURKB Q96GD4 1/20 0.87
PLK3 Q9H4B4 1/20 0.87
BCL2L1 Q07817 18/20 0.85
BCL2 P10415 14/20 0.85
MCL1 Q07820 11/20 0.73
BAD Q92934 1/20 0.62
BAK1 Q16611 1/20 0.58

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
SCHEMBL2951678 0.92 AURKA (0.86) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL4466581 0.92 AURKA (0.86) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL2944351 0.92 BCL2L1 (1.00) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL2951978 0.87 BCL2L1 (0.83) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL2952759 0.87 BCL2L1 (0.90) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL2951617 0.86 BCL2L1 (0.77) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL2951522 0.85 BCL2L1 (0.77) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL4461569 0.84 BCL2L1 (0.74) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL2949752 0.84 BCL2L1 (0.85) AURKAPLK1DYRK1AMARK2AURKB
SCHEMBL2951240 0.84 BCL2L1 (0.79) AURKAPLK1DYRK1AMARK2AURKB

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
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 AURKA 4022/4885PLK1 4428/4885DYRK1A 4792/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 AURKA 3867/4885PLK1 4312/4885DYRK1A 4777/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 AURKA 4022/4885PLK1 4428/4885DYRK1A 4792/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR AURKA 3541/4885PLK1 4115/4885DYRK1A 4703/4885

“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.