SCHEMBL3372602

SCHEMBL3372602

CC(C)(Oc1ncc(Cl)cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
PPARG P37231 5/20 0.46
FABP2 P12104 2/20 0.46
SLC22A12 Q96S37 1/20 0.46
MAP4K4 O95819 3/20 0.43
PDE5A O76074 1/20 0.43
KCNH2 Q12809 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PPARD Q03181 4/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL3374872 0.79 PPARA (0.44) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2824496 0.77 MAP4K4 (0.61) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10004462 0.76 PPARA (0.47) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL31286793 0.74 PPARA (0.58) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9723563 0.73 PPARA (0.47) PPARAMEN1CYP1A2CYP3A4CYP2D6
Clofibric Acid SCHEMBL102826 0.69 PPARA (1.00) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3526757 0.69 PPARA (0.67) PPARAMEN1CYP1A2CYP3A4CYP2D6
Clofibric Acid SCHEMBL2227936 0.69 PPARA (1.00) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25442309 0.69 ALDH1A1 (0.41) MEN1MAPTCYP2C19KMT2AALDH1A1
SCHEMBL9321723 0.69 PPARA (0.57) PPARAMEN1CYP1A2CYP3A4CYP2D6

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 34 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-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-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 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 366/4885MEN1 218/4885CYP1A2 883/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885MEN1 178/4885CYP1A2 1121/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MEN1 218/4885CYP1A2 883/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MEN1 218/4885CYP1A2 883/4885

“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.