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SCHEMBL2952155

SCHEMBL2952155

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ ADRB1 P08588 2/20 0.47
▸ ADRB3 P13945 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ APP P05067 1/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ LTB4R Q15722 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ BCL2 P10415 2/20 0.40
▸ BCL2L1 Q07817 2/20 0.40
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ LTB4R2 Q9NPC1 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
SCHEMBL2943712 0.90 CDK8 (0.49) CDK8CLK4ADRB1ADRB3L3MBTL1
SCHEMBL2949356 0.88 ADRB1 (0.51) CDK8CLK4ADRB1ADRB3L3MBTL1
SCHEMBL4464529 0.87 CDK8 (0.48) CDK8CLK4L3MBTL1NPC1RAB9A
SCHEMBL2943838 0.85 CYP1A2 (0.50) ADRB1ADRB3ROCK2ROCK1EGFR
SCHEMBL2949557 0.79 ADRB1 (0.48) ADRB1ADRB3L3MBTL1ROCK2ROCK1
SCHEMBL4464534 0.77 SRD5A2 (0.35) LTB4REGFRLTB4R2
SCHEMBL2943626 0.77 CHEK1 (0.48) CDK8CLK4ADRB1ADRB3EGFR
SCHEMBL2950450 0.76 ADRB1 (0.49) ADRB1ADRB3L3MBTL1LTB4REGFR
SCHEMBL2948803 0.76 CYP3A4 (0.49) ADRB1ADRB3EGFRBCL2BCL2L1
SCHEMBL2949986 0.75 CYP4A11 (0.50) ADRB1ADRB3NPC1EGFRBCL2

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 8 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
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 CDK8 2245/4885CLK4 4603/4885ADRB1 4520/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CDK8 2264/4885CLK4 4609/4885ADRB1 4573/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CDK8 2245/4885CLK4 4603/4885ADRB1 4520/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CDK8 1949/4885CLK4 4530/4885ADRB1 4702/4885

“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.