SCHEMBL2953801

SCHEMBL2953801

COC(=O)c1ccc(C2CCC3CCCCC3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
ATM Q13315 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
GRIN2B Q13224 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
EPHX2 P34913 1/20 0.45
CYP2C19 P33261 2/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL16684739 0.82 HDAC8 (0.61) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL13267179 0.82 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL2949436 0.81 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL2944396 0.81 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL1790000 0.81 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL2323857 0.80 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL12488363 0.79 HDAC1 (0.56) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL20739690 0.79 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL10909921 0.78 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL10909927 0.78 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGAACASP1

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 ALDH1A1 2651/4885HPGD 2505/4885KDM4E 1911/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885HPGD 2709/4885KDM4E 1563/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885HPGD 2505/4885KDM4E 1911/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ALDH1A1 3404/4885HPGD 2354/4885KDM4E 1143/4885

“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.