SCHEMBL400448

SCHEMBL400448

CC(C)OC(=O)c1ccc(OC(=O)CCCc2ccc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
AURKA O14965 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
NTRK1 P04629 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FES P07332 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
FGR P09769 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL402082 0.93 KCNH2 (0.38) TRPV1PPARGPPARDPPARANR1H4
SCHEMBL401283 0.90 NTRK1 (0.40) PPARGPPARDPPARANR1H4NTRK1
SCHEMBL402437 0.89 MTTP (0.44) PPARGPPARDPPARANR1H4MTTP
Sulfuric Acid SCHEMBL402780 0.87 NTRK1 (0.39) PPARGPPARDPPARANR1H4NTRK1
SCHEMBL403088 0.87 KLRK1 (0.40) KCNH2HSPH1PLK1MTTP
SCHEMBL5319586 0.84 MTTP (0.42) PPARGPPARDPPARANR1H4RXFP1
SCHEMBL401826 0.83 MTTP (0.46) MTTP
SCHEMBL10205546 0.82 NTRK1 (0.42) PPARGPPARDPPARANR1H4NTRK1
SCHEMBL5319240 0.82 MTTP (0.46) PPARGPPARDPPARANR1H4RXFP1
SCHEMBL399294 0.82 MTTP (0.43) MAPK14MTTP

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 TRPV1 2345/4885PPARG 322/4885PPARD 131/4885

“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.