SCHEMBL2138756

SCHEMBL2138756

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Oc2ccccc2)cc1)c1cccc2c1C=CCCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
PTGER4 P35408 1/20 0.38
UGCG Q16739 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CNR1 P21554 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CNR2 P34972 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
CXCR5 P32302 1/20 0.34
MTTP P55157 1/20 0.33

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
SCHEMBL1900082 0.90 PTGER4 (0.38) PTGER4UGCGCXCR5
SCHEMBL1899668 0.86 CETP (0.38) MAPK14UGCG
SCHEMBL1900140 0.86 CXCR5 (0.45) MAPK14PTGER4UGCGMEN1KMT2A
SCHEMBL2139706 0.85 OPRM1 (0.37) PTGER4UGCGCXCR5MTTP
SCHEMBL5751951 0.84 PTGER4 (0.40) PTGER4UGCGCNR1PPARG
SCHEMBL5751536 0.82 PTGER4 (0.38) PTGER4UGCGMEN1KMT2A
SCHEMBL5753971 0.80 CETP (0.36) UGCG
SCHEMBL5752724 0.80 PTGER4 (0.35) PTGER4CXCR5
SCHEMBL5751913 0.80 CETP (0.34) PTGER4UGCG
SCHEMBL5753406 0.80 CETP (0.38) UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US claimed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US claimed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP claimed
US-7897175-B2 Cholesteryl ester transfer protein (CETP) such as torcetrapib; 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase); two drugs are separate from each other; improved chemical stability of the HMG-CoA reductase inhibitor BEND RESEARCH, INC. (US) 2011-03-01 US disclosed
EP-1961419-B1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor PFIZER PROD INC (US) 2010-03-24 EP disclosed
EP-1961419-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor Pfizer Products Inc. (US) 2008-08-27 EP disclosed
EP-1581210-B1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PROD INC (US) 2008-03-19 EP disclosed
EP-1653926-A1 DOSAGE FORMS PROVIDING CONTROLLED RELEASE OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND IMMEDIATE RELEASE OF HMG-COA REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
EP-1581210-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR Pfizer Products Inc. (US) 2005-10-05 EP disclosed
EP-1578415-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR Pfizer Products Inc. (US) 2005-09-28 EP disclosed
US-20040197398-A1 Dosage forms comprising a CETP inhibitors and an HMG-CoA reductase inhibitor PFIZER INC. 2004-10-07 US disclosed
US-20040185102-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor PFIZER INC 2004-09-23 US disclosed
US-20040132771-A1 Compositions of choleseteryl ester transfer protein inhibitors and HMG-CoA reductase inhibitors PFIZER INC 2004-07-08 US disclosed
WO-2004056358-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004056395-A1 COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-COA REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004056359-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004056396-A1 DOSAGE FORMS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-CoA REDUCTASE INHIBITORS WITH IMPROVED PERFORMANCE PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040197398-A1 Dosage forms comprising a CETP inhibitors and an HMG-CoA reductase inhibitor CETP, HMGCR, MTTP MAPK14 4078/4885PTGER4 2003/4885UGCG 1338/4885
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP MAPK14 3182/4885PTGER4 1632/4885UGCG 740/4885
US-20040185102-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor CETP, HMGCR, MTTP MAPK14 4233/4885PTGER4 2970/4885UGCG 1100/4885
US-20040132771-A1 Compositions of choleseteryl ester transfer protein inhibitors and HMG-CoA reductase inhibitors CETP, HMGCR, CHLSN MAPK14 4521/4885PTGER4 2907/4885UGCG 743/4885

“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.