SCHEMBL2943597

SCHEMBL2943597

CCOC(=O)c1ccc(N2C(=O)CCC(C)(C)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
ALDH1A1 P00352 8/20 0.57
HTT P42858 4/20 0.57
HPGD P15428 3/20 0.57
HSP90AA1 P07900 3/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.46

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
SCHEMBL2953094 0.79 MAPK1 (0.80) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL25229614 0.76 L3MBTL1 (0.64) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL30533063 0.75 HTT (0.67) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL8302040 0.74 MAPK1 (0.65) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL29048967 0.74 HTT (0.62) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL24741226 0.73 MAPK1 (0.54) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL8504670 0.73 HTT (1.00) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL7431121 0.72 HTT (0.57) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL2942489 0.72 ALDH1A1 (0.56) MAPK1ALDH1A1HTTHSP90AA1TDP1
SCHEMBL2941901 0.71 HTT (0.55) MAPK1ALDH1A1HTTHPGDHSP90AA1

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 MAPK1 2657/4885ALDH1A1 2651/4885HTT 3524/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPK1 2730/4885ALDH1A1 2460/4885HTT 3398/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPK1 2657/4885ALDH1A1 2651/4885HTT 3524/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPK1 4010/4885ALDH1A1 3404/4885HTT 2725/4885

“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.