Sugi Predict

Sugi Predict / Compounds / SCHEMBL2193185

SCHEMBL2193185

SCHEMBL2193185

CCCC(C(=O)c1ccc(Cl)cc1)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FFAR2 O15552 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ UTS2R Q9UKP6 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SLC6A2 P23975 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
SCHEMBL2193182 1.00 CYP2C9 (0.42) CYP2C9CYP2C19FFAR2L3MBTL1UTS2R
SCHEMBL2518887 0.86 SLC2A1 (0.48) UTS2RPOLBLMNAALDH1A1CA1
SCHEMBL16693879 0.84 HDAC3 (0.42) LMNAHSD17B10ALDH1A1
SCHEMBL10016157 0.82 SLC6A2 (0.43) CYP2C9CYP2C19FFAR2UTS2RALDH1A1
SCHEMBL15948294 0.82 SLC6A2 (0.43) CYP2C9CYP2C19FFAR2UTS2RALDH1A1
SCHEMBL15958526 0.82 UTS2R (0.39) CYP2C9CYP2C19FFAR2UTS2RALDH1A1
SCHEMBL9071483 0.81 UTS2R (0.39) CYP2C9CYP2C19FFAR2UTS2RALDH1A1
SCHEMBL2194696 0.81 ALOX15 (0.52) CYP2C9CYP2C19FFAR2L3MBTL1POLB
SCHEMBL1356006 0.81 ALOX15 (0.52) CYP2C9CYP2C19FFAR2L3MBTL1POLB
SCHEMBL1393495 0.80 KMT2A (0.56) CYP2C9CYP2C19FFAR2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359339-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2016-06-07 — — US disclosed
US-9359339-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2016-06-07 — — US disclosed
US-9315457-B2 Crystalline polymorphic forms of an antidiabetic compound MERCK SHARP & DOHME CORP. (US) 2016-04-19 — — US disclosed
US-9315457-B2 Crystalline polymorphic forms of an antidiabetic compound MERCK SHARP & DOHME CORP. (US) 2016-04-19 — — US disclosed
US-20160075650-A1 CRYSTALLINE POLYMORPHIC FORMS OF AN ANTIDIABETIC COMPOUND MERCK SHARP & DOHME CORP. (US) 2016-03-17 — — US disclosed
US-9272999-B2 Crystalline polymorphic forms of an antidiabetic compound MERCK SHARP & DOHME CORP. (US) 2016-03-01 — — US disclosed
US-9272999-B2 Crystalline polymorphic forms of an antidiabetic compound MERCK SHARP & DOHME CORP. (US) 2016-03-01 — — US disclosed
US-20150197490-A1 CRYSTALLINE POLYMORPHIC FORMS OF AN ANTIDIABETIC COMPOUND MERCK SHARP & DOHME CORP. (US) 2015-07-16 — — US disclosed
US-20150197490-A1 CRYSTALLINE POLYMORPHIC FORMS OF AN ANTIDIABETIC COMPOUND MERCK SHARP & DOHME CORP. (US) 2015-07-16 — — US disclosed
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 — — EP disclosed
US-20110281795-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-11-17 — — US disclosed
US-20110281795-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-11-17 — — US disclosed
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2011-10-13 — — US disclosed
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2011-10-13 — — US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 — — US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 — — US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 — — US disclosed
WO-2010098948-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAININ SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-09-02 — — WO disclosed
WO-2010080971-A1 CRYSTALLINE POLYMORPHIC FORMS OF AN ANTIDIABETIC COMPOUND MERCK SHARP & DOHME CORP. (US) 2010-07-15 — — WO disclosed
WO-2010071750-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-06-24 — — 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 (5 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-20110281795-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 CYP2C9 2747/4885CYP2C19 2134/4885FFAR2 46/4885
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS GLP1R, GCGR, GPR119 CYP2C9 2487/4885CYP2C19 2247/4885FFAR2 30/4885
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 CYP2C9 2747/4885CYP2C19 2134/4885FFAR2 46/4885
US-20150197490-A1 CRYSTALLINE POLYMORPHIC FORMS OF AN ANTIDIABETIC COMPOUND GLP1R, GPR119, GCGR CYP2C9 152/4885CYP2C19 274/4885FFAR2 14/4885
US-20160075650-A1 CRYSTALLINE POLYMORPHIC FORMS OF AN ANTIDIABETIC COMPOUND GLP1R, GPR119, GCGR CYP2C9 152/4885CYP2C19 274/4885FFAR2 14/4885

“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.