SCHEMBL3527685

SCHEMBL3527685

CC(C)(Oc1cccnn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 5/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CYP4A11 Q02928 3/20 0.37
FABP2 P12104 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
TBXAS1 P24557 2/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 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
SCHEMBL4265563 0.77 GOT1 (0.34) CTDSP1
SCHEMBL3368880 0.77 CNR1 (0.46) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3374583 0.72 KDM4E (0.49) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2779348 0.72 P2RX7 (0.40) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL2655450 0.71 PPARA (0.49) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL4264850 0.71 CTDSP1 (0.39) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL29188170 0.70 TSHR (0.40) MEN1KMT2ATSHRCTDSP1P2RX7
SCHEMBL27945638 0.70 GOT1 (0.34) KMT2A
SCHEMBL31092378 0.70 GOT1 (0.34) KMT2A
Hydrochloric Acid SCHEMBL27803204 0.69 CTDSP1 (0.38) MEN1KMT2ACYP1A2CYP3A4MAPT

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 32 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
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-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 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 218/4885KMT2A 2292/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885MEN1 178/4885KMT2A 3170/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MEN1 218/4885KMT2A 2292/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885MEN1 218/4885KMT2A 2292/4885

“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.