SCHEMBL2943477

SCHEMBL2943477

COc1cc(CN(C)CC(=O)N(C)C)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
TAS2R14 Q9NYV8 4/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
EGFR P00533 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GAA P10253 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL7676021 0.93 ACHE (0.48) ADRB1ADRB3KCNH2MCHR1ACHE
SCHEMBL2948776 0.90 ALDH1A1 (0.45) ADRB1ADRB3KCNH2MCHR1ALDH1A1
SCHEMBL2949557 0.89 ADRB1 (0.48) ADRB1ADRB3ALDH1A1EGFRL3MBTL1
SCHEMBL2949356 0.83 ADRB1 (0.51) ADRB1ADRB3EGFRL3MBTL1
SCHEMBL2942087 0.79 ALDH1A1 (0.46) ADRB1ADRB3ALDH1A1EGFRSMN1; SMN2
SCHEMBL2949555 0.77 AKR1C3 (0.45) ADRB1ADRB3EGFR
SCHEMBL2943838 0.77 CYP1A2 (0.50) ADRB1ADRB3KCNH2ALDH1A1ACHE
SCHEMBL2949625 0.75 BCL2L1 (0.46) ADRB1ADRB3ALDH1A1EGFRKDM4E
SCHEMBL2948792 0.74 ABCB1 (0.53) KDM4EMEN1KMT2AROCK2ROCK1
SCHEMBL2952155 0.74 CDK8 (0.50) ADRB1ADRB3ACHEBCHEEGFR

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ADRB1 4520/4885ADRB3 4671/4885TAS2R14 3946/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ADRB1 4702/4885ADRB3 4615/4885TAS2R14 3856/4885

“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.