SCHEMBL3729050

SCHEMBL3729050

CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2cccc(C)c2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 10/20 0.42
MTTP P55157 11/20 0.39
APOB P04114 8/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3734668 0.94 PPARG (0.38) SMOMTTPPPARGPPARDPPARA
SCHEMBL3726274 0.93 NPSR1 (0.38) SMOMTTPPPARGPPARDPPARA
SCHEMBL3725220 0.93 RXFP1 (0.43) SMOMTTPPPARGPPARDPPARA
SCHEMBL5538394 0.91 ALDH1A1 (0.35) MTTPPPARGPPARDPPARANR1H4
Granotapide SCHEMBL1484041 0.91 MTTP (0.44) MTTPAPOB
SCHEMBL3727527 0.90 MTTP (0.39) MTTPPPARGPPARDPPARANR1H4
SCHEMBL3726226 0.88 MTTP (0.39) MTTPPPARGPPARDPPARANR1H4
SCHEMBL3730523 0.88 MTTP (0.39) MTTPAPOBPPARGPPARDPPARA
SCHEMBL3722420 0.87 MTTP (0.39) MTTPPPARGPPARDPPARANR1H4
SCHEMBL3737499 0.87 MTTP (0.42) MTTPAPOBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US claimed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US claimed
EP-1806149-A1 SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME Japan Tobacco, Inc. (JP) 2007-07-11 EP claimed
US-20060153913-A1 Solid formulation with improved solubility and stability, and method for producing said formulation JAPAN TOBACCO INC. (JP) 2006-07-13 US claimed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US claimed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP claimed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
EP-1806149-A1 SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME Japan Tobacco, Inc. (JP) 2007-07-11 EP disclosed
US-20060153913-A1 Solid formulation with improved solubility and stability, and method for producing said formulation JAPAN TOBACCO INC. (JP) 2006-07-13 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 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 (3 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP SMO 3733/4885MTTP 3/4885APOB 39/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP SMO 3405/4885MTTP 3/4885APOB 44/4885
US-20060153913-A1 Solid formulation with improved solubility and stability, and method for producing said formulation ABCG2, SORD, SRI SMO 260/4885MTTP 1276/4885APOB 2105/4885

“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.