SCHEMBL2946079

SCHEMBL2946079

O=C(O)c1ccc(-c2ccc3[nH]c(=O)oc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.63
PDE3A Q14432 2/20 0.63
GRIK1 P39086 1/20 0.58
GRIK2 Q13002 1/20 0.58
GRIK3 Q13003 1/20 0.58
CREBBP Q92793 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NR3C2 P08235 1/20 0.54
NOS1 P29475 1/20 0.50
SMYD3 Q9H7B4 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.44
CDC7 O00311 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
OGT O15294 1/20 0.43
PPM1D O15297 1/20 0.43
CYCS P99999 1/20 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
SCHEMBL29771053 0.87 KDM4E (0.67) PDE3BPDE3AGRIK1GRIK2GRIK3
SCHEMBL118684 0.87 KDM4E (0.67) PDE3BPDE3AGRIK1GRIK2GRIK3
SCHEMBL17260655 0.83 PDE3B (0.71) PDE3BPDE3ACREBBPKDM4EALDH1A1
SCHEMBL2943988 0.82 CREBBP (0.79) PDE3BPDE3ACREBBPKDM4EALDH1A1
SCHEMBL17260657 0.79 PDE3B (0.69) PDE3BPDE3ACREBBPKDM4EALDH1A1
SCHEMBL1421351 0.77 NOS1 (0.56) PDE3BPDE3ACREBBPKDM4EALDH1A1
SCHEMBL6992124 0.76 CREBBP (0.60) PDE3BPDE3ACREBBPKDM4EALDH1A1
SCHEMBL2546849 0.76 CREBBP (0.69) PDE3BPDE3ACREBBPKDM4EALDH1A1
SCHEMBL349741 0.76 CREBBP (0.65) PDE3BPDE3ACREBBPKDM4EALDH1A1
SCHEMBL2316982 0.76 KDM4E (0.69) PDE3BPDE3ACREBBPKDM4EALDH1A1

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 PDE3B 3642/4885PDE3A 3804/4885GRIK1 2698/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 PDE3B 3825/4885PDE3A 3846/4885GRIK1 2976/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 PDE3B 3642/4885PDE3A 3804/4885GRIK1 2698/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR PDE3B 3672/4885PDE3A 3871/4885GRIK1 3780/4885

“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.