SCHEMBL4953797

SCHEMBL4953797

CC(=O)c1ccc(OBOc2ccc(C(C)=O)c(F)c2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
MAOA P21397 4/20 0.52
CPS1 P31327 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL3193171 0.84 RARB (0.43) MAOBMAOACPS1ALDH1A1
SCHEMBL364906 0.83 CPS1 (0.45) MAOBCPS1ALDH1A1HPGD
SCHEMBL29639738 0.81 ALDH1A1 (0.65) MAOBMAOACPS1ALDH1A1CYP3A4
SCHEMBL531399 0.81 ALDH1A1 (0.65) MAOBMAOACPS1ALDH1A1CYP3A4
SCHEMBL17420671 0.80 ALDH1A1 (0.58) MAOBMAOACPS1ALDH1A1CYP3A4
SCHEMBL30628292 0.80 ALDH1A1 (0.58) MAOBMAOACPS1ALDH1A1CYP3A4
SCHEMBL15920708 0.79 CA12 (0.46) MAOBALDH1A1HPGD
SCHEMBL2279929 0.79 MAOB (0.55) MAOBMAOACPS1ALDH1A1CYP3A4
SCHEMBL17766955 0.77 MAOB (0.54) MAOBMAOACPS1ALDH1A1CYP3A4
SCHEMBL14356128 0.77 MAOB (0.66) MAOBMAOACPS1CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456156-B2 Aryl boronic acids for treating obesity GENZYME CORPORATION (US) 2008-11-25 US disclosed
EP-1404685-B1 ARYL BORONIC ACIDS FOR TREATING OBESITY GENZYME CORP (US) 2006-09-13 EP disclosed
US-20060128663-A1 Aryl boronate functionalized polymers for treating obesity GENZYME CORPORATION (US) 2006-06-15 US disclosed
US-20060128664-A1 Aryl boronic acids for treating obesity GENZYME CORPORATION (US) 2006-06-15 US disclosed
US-7049304-B2 Aryl boronic acids for treating obesity GENZYME CORPORATION (US) 2006-05-23 US disclosed
US-7041280-B2 Aryl boronate functionalized polymers for treating obesity GENZYME CORPORATION (US) 2006-05-09 US disclosed
US-20050107336-A1 Aryl boronic acids for treating obesity HOLMES-FARLEY STEPHEN R (US) 2005-05-19 US disclosed
US-6858592-B2 Aryl boronic acids for treating obesity GENZYME CORPORATION (US) 2005-02-22 US disclosed
EP-1404686-A1 ARYL BORONATE FUNCTIONALIZED POLYMERS FOR TREATING OBESITY Geltex Pharmaceuticals, Inc. (US) 2004-04-07 EP disclosed
EP-1404685-A1 ARYL BORONIC ACIDS FOR TREATING OBESITY Geltex Pharmaceuticals, Inc. (US) 2004-04-07 EP disclosed
US-20030064963-A1 Aryl boronic acids for treating obesity GELTEX PHARMACEUTICALS, INC. 2003-04-03 US disclosed
US-20030059399-A1 Aryl boronate functionalized polymers for treating obesity GELTEX PHARMACEUTICALS, INC. 2003-03-27 US disclosed
WO-2003002570-A1 ARYL BORONIC ACIDS FOR TREATING OBESITY GENZYME CORPORATION (US) 2003-01-09 WO disclosed
WO-2003002571-A1 ARYL BORONATE FUNCTIONALIZED POLYMERS FOR TREATING OBESITY GENZYME CORPORATION (US) 2003-01-09 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 (5 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-20060128664-A1 Aryl boronic acids for treating obesity FFAR3, NR1H4, NR1H3 MAOB 1094/4885MAOA 1381/4885CPS1 950/4885
US-20030059399-A1 Aryl boronate functionalized polymers for treating obesity CEL, AHR, LIPE MAOB 48/4885MAOA 123/4885CPS1 1632/4885
US-20050107336-A1 Aryl boronic acids for treating obesity FFAR3, NR1H3, NR1H4 MAOB 1132/4885MAOA 1376/4885CPS1 923/4885
US-20030064963-A1 Aryl boronic acids for treating obesity FFAR3, FFAR1, NR1H3 MAOB 1497/4885MAOA 2271/4885CPS1 650/4885
US-20060128663-A1 Aryl boronate functionalized polymers for treating obesity CEL, AHR, LIPE MAOB 52/4885MAOA 171/4885CPS1 1679/4885

“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.