SCHEMBL2952406

SCHEMBL2952406

COc1ccc(OC)c(-c2coc(-c3ccc(Br)cc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.51
ENPP1 P22413 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HPGD P15428 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
TSHR P16473 2/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL2942196 0.82 ENPP3 (0.52) ENPP3ENPP1SMN1; SMN2TP53HPGD
SCHEMBL27809530 0.79 ENPP3 (0.53) ENPP3ENPP1SMN1; SMN2TP53NFKB1
SCHEMBL2949324 0.78 TARBP2 (0.48) ENPP3ENPP1SMN1; SMN2TP53HPGD
SCHEMBL1994352 0.78 PTGDR2 (0.50) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL28474909 0.77 ENPP3 (0.51) ENPP3ENPP1SMN1; SMN2TP53NFKB1
SCHEMBL28476767 0.76 ENPP3 (0.64) ENPP3ENPP1SMN1; SMN2TP53NFKB1
SCHEMBL12171862 0.76 STIM1 (0.50) ENPP3ENPP1HPGDKDM4EALDH1A1
SCHEMBL8399604 0.74 ENPP3 (0.84) ENPP3ENPP1SMN1; SMN2TP53NFKB1
SCHEMBL1177949 0.71 ENPP3 (0.74) ENPP3ENPP1SMN1; SMN2TP53NFKB1
SCHEMBL4530936 0.71 MGAM (0.49) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1

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 ENPP3 1915/4885ENPP1 887/4885SMN1; SMN2 1440/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ENPP3 2083/4885ENPP1 1212/4885SMN1; SMN2 1656/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ENPP3 1915/4885ENPP1 887/4885SMN1; SMN2 1440/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ENPP3 1799/4885ENPP1 1659/4885SMN1; SMN2 1713/4885

“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.