SCHEMBL2948960

SCHEMBL2948960

COC(=O)c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.60
WDR5 P61964 2/20 0.50
VCAM1 P19320 1/20 0.50
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
POLB P06746 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
EGFR P00533 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCB1 P08183 2/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL29891438 1.00 ERN1 (0.60) ERN1WDR5VCAM1ABL1BCR
SCHEMBL29564693 0.88 VCAM1 (0.62) WDR5VCAM1ABL1BCRITGB1
SCHEMBL31493 0.88 VCAM1 (0.62) WDR5VCAM1ABL1BCRITGB1
SCHEMBL7169220 0.84 ERN1 (0.64) ERN1VCAM1POLBCA12CA1
SCHEMBL19010023 0.84 ERN1 (0.61) ERN1VCAM1POLBCA12CA1
SCHEMBL29891023 0.83 ERN1 (0.51) ERN1WDR5VCAM1ABL1BCR
SCHEMBL6704718 0.82 ERN1 (0.56) ERN1VCAM1ABL1BCRMEN1
SCHEMBL29892313 0.81 ERN1 (0.49) ERN1WDR5VCAM1ABL1BCR
SCHEMBL28566263 0.81 WDR5 (0.60) WDR5POLBMEN1KMT2AMAPT
SCHEMBL31274559 0.81 VCAM1 (0.54) WDR5VCAM1ABL1BCRITGB1

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 ERN1 848/4885WDR5 4231/4885VCAM1 3202/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ERN1 787/4885WDR5 3802/4885VCAM1 3281/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ERN1 848/4885WDR5 4231/4885VCAM1 3202/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ERN1 1718/4885WDR5 3833/4885VCAM1 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.