SCHEMBL2949557

SCHEMBL2949557

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
EGFR P00533 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL2942087 0.90 ALDH1A1 (0.46) ADRB1ADRB3CYP1A2CYP3A4CYP2D6
SCHEMBL2943477 0.89 ADRB1 (0.45) ADRB1ADRB3ROCK2ROCK1ALDH1A1
SCHEMBL2943838 0.86 CYP1A2 (0.50) ADRB1ADRB3CYP1A2CYP3A4CYP2D6
SCHEMBL2949356 0.86 ADRB1 (0.51) ADRB1ADRB3EGFRL3MBTL1BCL2
SCHEMBL7676021 0.84 ACHE (0.48) ADRB1ADRB3ROCK2ROCK1EGFR
SCHEMBL2952155 0.79 CDK8 (0.50) ADRB1ADRB3ROCK2ROCK1EGFR
SCHEMBL2948776 0.79 ALDH1A1 (0.45) ADRB1ADRB3ALDH1A1KDM4EEGFR
SCHEMBL2948803 0.76 CYP3A4 (0.49) ADRB1ADRB3CYP1A2CYP3A4CYP2D6
SCHEMBL2943626 0.76 CHEK1 (0.48) ADRB1ADRB3CYP1A2CYP3A4ALDH1A1
SCHEMBL2949555 0.76 AKR1C3 (0.45) ADRB1ADRB3EGFR

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
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-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 (3 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-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ADRB1 4573/4885ADRB3 4640/4885CYP1A2 4316/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ADRB1 4520/4885ADRB3 4671/4885CYP1A2 4151/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ADRB1 4702/4885ADRB3 4615/4885CYP1A2 4414/4885

“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.