SCHEMBL403357

SCHEMBL403357

CN(C)C(=O)c1cc(CCCC(=O)Oc2ccc(C(=O)OCc3cccc(Cl)c3)cc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPH1 Q92598 1/20 0.43
MTTP P55157 10/20 0.41
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
PPARA Q07869 1/20 0.39
KLRK1 P26718 3/20 0.37
MICA Q29983 3/20 0.37
RAET1L Q5VY80 3/20 0.37
F10 P00742 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL401598 0.94 KLRK1 (0.42) HSPH1MTTPKLRK1MICARAET1L
SCHEMBL403073 0.93 MTTP (0.45) HSPH1MTTPPPARGPPARDNR1H4
SCHEMBL402231 0.92 MTTP (0.44) MTTPPPARGPPARDNR1H4PPARA
SCHEMBL402034 0.91 MTTP (0.44) MTTPPPARGPPARDNR1H4PPARA
SCHEMBL403565 0.90 MTTP (0.41) MTTPPPARGPPARDNR1H4PPARA
SCHEMBL399538 0.90 MTTP (0.44) MTTPPPARGPPARDNR1H4PPARA
SCHEMBL5316498 0.90 MTTP (0.43) HSPH1MTTPPPARGPPARDNR1H4
SCHEMBL400628 0.90 MTTP (0.41) MTTPPPARGPPARDNR1H4PPARA
SCHEMBL5319240 0.89 MTTP (0.46) MTTPPPARGPPARDNR1H4PPARA
SCHEMBL403014 0.89 MTTP (0.41) MTTPPPARGPPARDNR1H4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP claimed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 US claimed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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 (1 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-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA HSPH1 1596/4885MTTP 1/4885PPARG 322/4885

“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.