SCHEMBL2249088

SCHEMBL2249088

CCOC(=O)c1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA12 O43570 2/20 0.63
CA7 P43166 2/20 0.63
CA9 Q16790 2/20 0.63
CA14 Q9ULX7 2/20 0.63
ESR1 P03372 1/20 0.63
ESR2 Q92731 1/20 0.63
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAOA P21397 1/20 0.61
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 4/20 0.54

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
SCHEMBL195116 0.87 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL9182180 0.86 RAB9A (0.72) LMNANPC1MAPTRAB9AMEN1
SCHEMBL87450 0.85 CA1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL9184957 0.85 RAB9A (0.49) CA1CA2CA12CA7CA9
SCHEMBL498957 0.84 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL29504635 0.83 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL21440358 0.83 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL30271267 0.83 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL7746905 0.83 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL27647420 0.83 CA1 (0.79) CA1CA2CA12CA7CA9

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
CN-103370306-B Glucagon Receptor Modulators PFIZER INC. (US) 2015-12-02 CN disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 US disclosed
US-9073871-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-07-07 US disclosed
CN-104744370-A Glucagon receptor modulators PFIZER 2015-07-01 CN disclosed
US-20140371467-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2014-12-18 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 US disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 US disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 US disclosed
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 WO disclosed
US-4015010-A ANTIOBESITY, ANTIDIABETIC, HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-03-29 US disclosed
US-4015010-A ANTIOBESITY, ANTIDIABETIC, HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-03-29 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-20150266859-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CA1 3307/4885CA2 1259/4885CA12 2808/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B CA1 3928/4885CA2 3264/4885CA12 4744/4885
US-20140371467-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CA1 3307/4885CA2 1259/4885CA12 2808/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CA1 3307/4885CA2 1259/4885CA12 2808/4885

“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.