SCHEMBL4367191

SCHEMBL4367191

COc1cc(CCNC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.55
DUSP3 P51452 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
KCNH2 Q12809 1/20 0.47
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
NOX4 Q9NPH5 1/20 0.45
TYR P14679 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL4367196 1.00 TMEM97 (0.55) TMEM97DUSP3MTNR1AMTNR1BALOX5
SCHEMBL4367223 1.00 TMEM97 (0.55) TMEM97DUSP3MTNR1AMTNR1BALOX5
SCHEMBL4363914 0.88 MTNR1A (0.52) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4376901 0.88 MTNR1A (0.52) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4363908 0.88 MTNR1A (0.52) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4368024 0.87 MTNR1A (0.53) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4367213 0.87 LMNA (0.56) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4368020 0.87 MTNR1A (0.53) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4367219 0.87 LMNA (0.56) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL4372465 0.87 LMNA (0.56) MTNR1AMTNR1BALOX5OR51E2NOX4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
EP-1526128-B1 Process the preparation of alpha-hydroxycarboxylic acid amides SYNGENTA PARTICIPATIONS AG (CH) 2007-01-03 EP disclosed
EP-1444195-B1 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-10 EP disclosed
EP-1526128-A2 Process the preparation of alpha-hydroxycarboxylic acid amides Syngenta Participations AG (CH) 2005-04-27 EP disclosed
US-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. 2005-01-20 US disclosed
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP disclosed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 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 (1 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-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides HCAR1, HCAR3, HCAR2 TMEM97 599/4885DUSP3 4161/4885MTNR1A 247/4885

“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.