SCHEMBL2949356

SCHEMBL2949356

COc1cc(CCC(=O)N(C)C)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
CHEK1 O14757 2/20 0.49
BCL2 P10415 1/20 0.48
BCL2L1 Q07817 1/20 0.48
LTB4R Q15722 1/20 0.45
EGFR P00533 1/20 0.44
CDK8 P49336 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
APP P05067 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
RXRA P19793 1/20 0.41
FOLH1 Q04609 1/20 0.41
ALOX5 P09917 1/20 0.41
OR51E2 Q9H255 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL2943626 0.89 CHEK1 (0.48) ADRB1ADRB3CHEK1BCL2BCL2L1
SCHEMBL2952155 0.88 CDK8 (0.50) ADRB1ADRB3CHEK1BCL2BCL2L1
SCHEMBL2949557 0.86 ADRB1 (0.48) ADRB1ADRB3BCL2BCL2L1EGFR
SCHEMBL2943477 0.83 ADRB1 (0.45) ADRB1ADRB3EGFRL3MBTL1
SCHEMBL7663433 0.83 CHEK1 (0.48) CHEK1BCL2BCL2L1CDK8CLK4
SCHEMBL2950450 0.81 ADRB1 (0.49) ADRB1ADRB3LTB4REGFRL3MBTL1
SCHEMBL2943838 0.81 CYP1A2 (0.50) ADRB1ADRB3BCL2BCL2L1EGFR
SCHEMBL7676021 0.79 ACHE (0.48) ADRB1ADRB3EGFR
SCHEMBL2951274 0.78 ADRB1 (0.50) ADRB1ADRB3EGFRALOX5OR51E2
SCHEMBL2943659 0.78 KDM1A (0.47) ADRB1ADRB3BCL2BCL2L1

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 ADRB1 4520/4885ADRB3 4671/4885CHEK1 3294/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ADRB1 4573/4885ADRB3 4640/4885CHEK1 3163/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ADRB1 4520/4885ADRB3 4671/4885CHEK1 3294/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ADRB1 4702/4885ADRB3 4615/4885CHEK1 3020/4885

“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.