SCHEMBL3374708

SCHEMBL3374708

Cc1cc(C)nc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PPARA Q07869 9/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 6/20 0.38
POLQ O75417 1/20 0.36
LCK P06239 1/20 0.36
MAP4K4 O95819 1/20 0.35
MAPK1 P28482 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
FABP2 P12104 1/20 0.34

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
SCHEMBL3374583 0.76 KDM4E (0.49) MAPTPPARACYP2C19MEN1CYP1A2
SCHEMBL659617 0.76 PPARA (0.53) MAPTPPARACYP2C19MEN1CYP1A2
SCHEMBL5150473 0.75 CYP4F2 (0.45) MAPTPPARACYP2C19MEN1CYP1A2
SCHEMBL3476030 0.75 CYP4F2 (0.45) MAPTPPARACYP2C19MEN1CYP1A2
SCHEMBL9413739 0.74 LCK (0.40) MAPTCYP2C19CYP1A2KMT2AALDH1A1
SCHEMBL14988854 0.71 PPARA (0.55) MAPTPPARACYP2C19MEN1CYP1A2
Bicarbonate SCHEMBL9343614 0.70 NOS3 (0.50) MAPTKMT2AALDH1A1KDM4ELCK
Trifluoroacetic Acid SCHEMBL3808675 0.70 MAPT (0.44) MAPTALDH1A1KDM4ELCKMAPK1
SCHEMBL9413726 0.69 NOS3 (0.42) MAPTCYP2C19MEN1CYP1A2KMT2A
SCHEMBL3475307 0.69 MAP4K4 (0.49) MAPTPPARACYP2C19MEN1CYP1A2

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-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 WO 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-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP 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 MAPT 933/4885PPARA 366/4885CYP2C19 732/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG MAPT 662/4885PPARA 780/4885CYP2C19 1058/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH MAPT 933/4885PPARA 366/4885CYP2C19 732/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH MAPT 933/4885PPARA 366/4885CYP2C19 732/4885

“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.