SCHEMBL2824496

SCHEMBL2824496

CC(C)(Oc1ccc(Cl)cn1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.61
PPARA Q07869 7/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
CNR1 P21554 5/20 0.50
PPARG P37231 5/20 0.50
CNR2 P34972 2/20 0.50
FABP2 P12104 2/20 0.50
SLC22A12 Q96S37 1/20 0.50
PDE5A O76074 1/20 0.46
KCNH2 Q12809 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
PPARD Q03181 4/20 0.45
LIPE Q05469 1/20 0.42
CYP4F2 P78329 2/20 0.41

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
SCHEMBL2826311 0.85 MAP4K4 (0.50) MAP4K4PPARAMEN1CYP1A2CYP3A4
SCHEMBL3475307 0.81 MAP4K4 (0.49) MAP4K4PPARAMEN1CYP1A2CYP3A4
SCHEMBL3374716 0.80 PPARA (0.62) MAP4K4PPARACYP1A2CYP3A4MAPT
SCHEMBL1046555 0.80 MAP4K4 (0.48) MAP4K4PPARAMEN1CYP1A2CYP3A4
SCHEMBL3474425 0.80 MAP4K4 (0.48) MAP4K4PPARAMEN1CYP1A2CYP3A4
SCHEMBL12162568 0.78 CNR1 (0.39) MAP4K4PPARAMEN1CYP1A2CYP3A4
SCHEMBL3475308 0.78 MAP4K4 (0.46) MAP4K4PPARAMEN1CYP1A2CYP3A4
SCHEMBL201045 0.78 LMNA (0.50) MAP4K4PPARAKMT2ACNR1PPARG
SCHEMBL3372602 0.77 PPARA (0.53) MAP4K4PPARAMEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL199908 0.76 LMNA (0.49) MAP4K4PPARAKMT2ACNR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
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
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO 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
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 WO 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
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 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 (3 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-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MAP4K4 3507/4885PPARA 63/4885MEN1 4726/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG MAP4K4 1681/4885PPARA 780/4885MEN1 178/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH MAP4K4 2103/4885PPARA 366/4885MEN1 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.