SCHEMBL2949599

SCHEMBL2949599

COC(=O)c1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
PTGS1 P23219 1/20 0.50
VCAM1 P19320 1/20 0.48
MAP2K4 P45985 1/20 0.47
EGFR P00533 1/20 0.47
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MYC P01106 2/20 0.44
MAX P61244 2/20 0.44
LGALS3 P17931 1/20 0.44
LGALS4 P56470 1/20 0.44
ATM Q13315 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL29708208 0.89 VCAM1 (0.59) ERN1VCAM1EGFRPOLBMEN1
SCHEMBL4726931 0.89 VCAM1 (0.59) ERN1VCAM1EGFRPOLBMEN1
SCHEMBL19010023 0.87 ERN1 (0.61) ERN1VCAM1EGFRPOLBMEN1
SCHEMBL497490 0.85 ERN1 (0.55) ERN1VCAM1EGFRPOLBMEN1
SCHEMBL498267 0.84 KDM4E (0.54) ERN1VCAM1EGFRPOLBMEN1
SCHEMBL13011322 0.83 VCAM1 (0.53) VCAM1MEN1KMT2ANPC1RAB9A
SCHEMBL13011315 0.82 VCAM1 (0.55) VCAM1POLBMEN1KMT2AMAPT
SCHEMBL18980914 0.82 ERN1 (0.49) ERN1VCAM1EGFRPOLBMEN1
SCHEMBL17197998 0.81 VCAM1 (0.61) ERN1VCAM1POLBMEN1KMT2A
SCHEMBL12181970 0.81 POLB (0.55) ERN1VCAM1POLBMAPTMAPK1

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 ERN1 848/4885PTGS1 874/4885VCAM1 3202/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ERN1 787/4885PTGS1 904/4885VCAM1 3281/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ERN1 848/4885PTGS1 874/4885VCAM1 3202/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ERN1 1718/4885PTGS1 1641/4885VCAM1 4140/4885

“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.