SCHEMBL3095728

SCHEMBL3095728

Cc1cc(C[C@@H](O)C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GLRA1 P23415 1/20 0.46
PTPN1 P18031 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KDM6B O15054 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTPRA P18433 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3095738 1.00 PPARG (0.46) PPARGPPARAFFAR4GLRA1PTPN1
SCHEMBL1610643 0.99 PPARG (0.45) PPARGPPARAFFAR4GLRA1PTPN1
SCHEMBL2088199 0.91 PTGER4 (0.44) PPARGPPARAFFAR4GLRA1PTPN1
SCHEMBL3519333 0.91 MRGPRX4 (0.52) PPARGPPARAFFAR4GLRA1PTPN1
SCHEMBL3519330 0.91 MRGPRX4 (0.52) PPARGPPARAFFAR4GLRA1PTPN1
SCHEMBL2088195 0.91 PTGER4 (0.44) PPARGPPARAFFAR4GLRA1PTPN1
SCHEMBL2086121 0.90 FFAR4 (0.43) FFAR4PTPN1LMNAHPGDMRGPRX4
SCHEMBL2086119 0.90 FFAR4 (0.43) FFAR4PTPN1LMNAHPGDMRGPRX4
SCHEMBL2086541 0.88 LMNA (0.49) PPARGPPARAFFAR4GLRA1PTPN1
SCHEMBL13408005 0.84 PPARG (0.42) PPARGPPARAFFAR4KDM6BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288531-B2 Preparation process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-8288531-B2 Preparation process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US disclosed
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US disclosed
US-8084634-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-27 US disclosed
US-8084634-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-27 US disclosed
US-20110295000-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110295000-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110087021-A1 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110087021-A1 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
WO-2009021943-A2 NOVEL PREPARATION PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
US-7491717-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
US-20080280887-A1 Selected Cgrp-Antagonists, Processes for Preparing Them and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 US disclosed
WO-2008022962-A2 METHOD FOR PRODUCING N-PIPERIDINYL-BENZODIAZEPINES HAVING CGRP-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20080045705-A1 Production Method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045705-A1 Production Method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US 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 (7 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-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents GPR119, HTR1D, TRPV1 PPARG 634/4885PPARA 885/4885FFAR4 190/4885
US-20110087021-A1 NOVEL PREPARATION PROCESS CYP2F1, CYP11B2, CYP11B1 PPARG 3768/4885PPARA 4550/4885FFAR4 4098/4885
US-20080045705-A1 Production Method CYP2F1, CYP7A1, CYP1A1 PPARG 2179/4885PPARA 3347/4885FFAR4 3455/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARG 2294/4885PPARA 3147/4885FFAR4 1199/4885
US-20110295000-A1 PRODUCTION METHOD CYP2F1, CYP7A1, CYP1A1 PPARG 2179/4885PPARA 3347/4885FFAR4 3455/4885
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARG 2294/4885PPARA 3147/4885FFAR4 1199/4885
US-20080280887-A1 Selected Cgrp-Antagonists, Processes for Preparing Them and Their Use as Pharmaceutical Compositions CALCRL, CALCR, BDKRB2 PPARG 2806/4885PPARA 3509/4885FFAR4 1188/4885

“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.