SCHEMBL2945259

SCHEMBL2945259

CC(C)(C)OC(=O)N(c1ccccc1)C(CS)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC7A5 Q01650 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTRB1 P17538 3/20 0.34
AAK1 Q2M2I8 2/20 0.34
PRSS1 P07477 2/20 0.34
CTSG P08311 2/20 0.34
CMA1 P23946 2/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL7749261 0.79 MAPT (0.36) MMP13CYP2C19KMT2AL3MBTL1HTR2C
SCHEMBL27751076 0.79 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNATP53MMP13
SCHEMBL4528518 0.79 CTSS (0.39) MEN1KMT2ASLC7A5L3MBTL1AAK1
SCHEMBL6068849 0.78 CTSS (0.34) ALDH1A1MMP13CYP3A4SLC7A5L3MBTL1
SCHEMBL31324787 0.78 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNATP53MMP13
Cysteine SCHEMBL29016388 0.77 SLC7A5 (0.42) SMN1; SMN2ALDH1A1LMNATP53SLC7A5
SCHEMBL18301525 0.77 SLC7A5 (0.43) SLC7A5L3MBTL1CTRB1PRSS1CTSG
SCHEMBL12478473 0.76 AAK1 (0.41) SMN1; SMN2ALDH1A1LMNATP53MMP13
SCHEMBL12478470 0.76 AAK1 (0.41) SMN1; SMN2ALDH1A1LMNATP53MMP13
SCHEMBL8155343 0.75 ALOX5 (0.46)

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 7 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
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 SMN1; SMN2 1440/4885ALDH1A1 2651/4885LMNA 472/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 SMN1; SMN2 1656/4885ALDH1A1 2460/4885LMNA 456/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 SMN1; SMN2 1440/4885ALDH1A1 2651/4885LMNA 472/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR SMN1; SMN2 1713/4885ALDH1A1 3404/4885LMNA 329/4885

“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.