SCHEMBL3372026

SCHEMBL3372026

CC(C)(Oc1ccc(F)c(Cl)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
PPARG P37231 5/20 0.56
FABP2 P12104 2/20 0.56
SLC22A12 Q96S37 1/20 0.56
PPARD Q03181 5/20 0.51
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
LMNA P02545 2/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL3371724 0.87 PPARA (0.60) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL31117868 0.87 PPARA (0.60) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL31067899 0.85 PPARA (0.61) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL3372781 0.85 PPARA (0.66) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL1418013 0.85 PPARA (0.61) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL1305000 0.82 MAPT (0.68) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL16585114 0.81 PPARA (0.56) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL1304994 0.80 PPARA (0.52) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL25213960 0.79 PPARA (0.54) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL21991741 0.79 PPARA (0.54) PPARAMAPTMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MAPT 933/4885MEN1 218/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885MAPT 662/4885MEN1 178/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MAPT 933/4885MEN1 218/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MAPT 933/4885MEN1 218/4885

“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.