SCHEMBL2942489

SCHEMBL2942489

COC(=O)c1ccc(N2C(=O)CC(C)(C)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
MAPK1 P28482 1/20 0.52
CYP11B2 P19099 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
AR P10275 1/20 0.47
OPRM1 P35372 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL2946208 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1CYP11B2NPC1
SCHEMBL2943863 0.81 MAPK1 (0.78) ALDH1A1SMN1; SMN2MAPK1CYP11B2NPC1
SCHEMBL24741226 0.80 MAPK1 (0.54) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL2943787 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPK1CYP11B2NPC1
SCHEMBL2951693 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL9637492 0.79 AR (0.52) ALDH1A1SMN1; SMN2MAPK1RAB9ATDP1
SCHEMBL10855612 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2AR
SCHEMBL11730197 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP11B2RAB9ATDP1
SCHEMBL3765434 0.74 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1TDP1HTT
SCHEMBL2943597 0.72 MAPK1 (0.62) ALDH1A1SMN1; SMN2MAPK1TDP1HTT

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 ALDH1A1 2651/4885SMN1; SMN2 1440/4885MAPK1 2657/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885SMN1; SMN2 1656/4885MAPK1 2730/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885SMN1; SMN2 1440/4885MAPK1 2657/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ALDH1A1 3404/4885SMN1; SMN2 1713/4885MAPK1 4010/4885

“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.