SCHEMBL2949436

SCHEMBL2949436

COC(=O)c1ccc(C2CCCCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 1/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC1 Q13547 1/20 0.59
HAO1 Q9UJM8 1/20 0.55
NPC1 O15118 2/20 0.55
EPHX2 P34913 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
DEGS1 O15121 1/20 0.53
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51

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
SCHEMBL1790000 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL2944396 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL16684739 0.98 HDAC8 (0.61) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL15214831 0.95 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL12488363 0.95 HDAC1 (0.56) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL22453473 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL2354500 0.92 HAO1 (0.64) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL21656950 0.92 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL21656481 0.92 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL7330029 0.92 HDAC8 (0.59) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6

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 2651/4885SMN1; SMN2 1440/4885MAPT 4851/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885SMN1; SMN2 1656/4885MAPT 4830/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885SMN1; SMN2 1440/4885MAPT 4851/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ALDH1A1 3404/4885SMN1; SMN2 1713/4885MAPT 4806/4885

“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.