SCHEMBL2136000

SCHEMBL2136000

CC(C)c1ccc(CC(NC(=O)c2cccc3c2C=CCCC3)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
BACE1 P56817 6/20 0.38
BACE2 Q9Y5Z0 4/20 0.38
PSMB5 P28074 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
UGCG Q16739 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
ACACB O00763 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 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
SCHEMBL5752139 0.92 BACE1 (0.39) PTGER4BACE1BACE2PSMB5HTT
SCHEMBL5751536 0.91 PTGER4 (0.38) PTGER4BACE1BACE2PSMB5HTT
SCHEMBL1900082 0.90 PTGER4 (0.38) PTGER4BACE1BACE2UGCG
SCHEMBL5751951 0.88 PTGER4 (0.40) PTGER4BACE1BACE2UGCGACACB
SCHEMBL5752436 0.87 BACE1 (0.38) PTGER4BACE1BACE2HTTMEN1
SCHEMBL5753753 0.85 PTGER4 (0.36) PTGER4BACE1BACE2UGCGCYP1A2
SCHEMBL1900536 0.84 PSMB5 (0.48) PTGER4BACE1BACE2PSMB5HTT
SCHEMBL5751713 0.84 BACE1 (0.34) PTGER4BACE1BACE2HTTMEN1
SCHEMBL5753313 0.84 BACE1 (0.35) PTGER4BACE1BACE2HTTMEN1
SCHEMBL5754766 0.83 BACE1 (0.34) PTGER4BACE1BACE2HTTUGCG

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 PTGER4 2003/4885BACE1 1951/4885BACE2 3216/4885
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP PTGER4 1632/4885BACE1 835/4885BACE2 1392/4885
US-20040185102-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor CETP, HMGCR, MTTP PTGER4 2970/4885BACE1 1994/4885BACE2 3588/4885
US-20040132771-A1 Compositions of choleseteryl ester transfer protein inhibitors and HMG-CoA reductase inhibitors CETP, HMGCR, CHLSN PTGER4 2907/4885BACE1 1758/4885BACE2 2696/4885

“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.