SCHEMBL4949504

SCHEMBL4949504

O=C(CF)c1ccc(Br)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KIF11 P52732 1/20 0.39
MAOB P27338 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPT P10636 5/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL246840 0.85 ACHE (0.42) ACHECES2CES1MAOBPTPN1
SCHEMBL2953875 0.85 PTPN1 (0.57) CES2CES1KIF11MAOBPTPN1
SCHEMBL12430465 0.84 ACHE (0.44) ACHECES2CES1PTPN1MAPT
SCHEMBL1349781 0.83 MAPT (0.54) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL2686773 0.83 GSK3B (0.47) CES2CES1KIF11MAOBPTPN1
SCHEMBL671907 0.82 CES2 (0.61) ACHECES2CES1MAOBMAPT
SCHEMBL22097341 0.80 KMT2A (0.49) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL6313789 0.80 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL23617623 0.79 KIF11 (0.42) CES2CES1KIF11MAOBPTPN1
SCHEMBL16563526 0.79 SLC6A4 (0.44) MAPTRAB9AHDAC1HDAC6ALDH1A1

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 19 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
US-5786350-A CONDENSATION; HYDROLYSIS; DEPROTECTING GRUPPO LEPETIT S.P.A. (IT) 1998-07-28 US disclosed
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 EP disclosed
EP-0309789-A1 4-Oxo-3-quinolinecarboxylic acids useful as antibacterial agents and preparation thereof STERLING WINTHROP INC. (US) 1989-04-05 EP 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 ACHE 4325/4885CES2 461/4885CES1 162/4885
US-20030059399-A1 Aryl boronate functionalized polymers for treating obesity CEL, AHR, LIPE ACHE 3976/4885CES2 47/4885CES1 82/4885
US-20050107336-A1 Aryl boronic acids for treating obesity FFAR3, NR1H3, NR1H4 ACHE 4338/4885CES2 457/4885CES1 162/4885
US-20030064963-A1 Aryl boronic acids for treating obesity FFAR3, FFAR1, NR1H3 ACHE 4562/4885CES2 413/4885CES1 89/4885
US-20060128663-A1 Aryl boronate functionalized polymers for treating obesity CEL, AHR, LIPE ACHE 4190/4885CES2 51/4885CES1 119/4885

“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.