SCHEMBL402203

SCHEMBL402203

COC(=O)c1cc(C)c(OC(=O)CCCc2ccc(NC(=O)c3ccc(C)nc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 1/20 0.43
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PLK1 P53350 1/20 0.33
MTTP P55157 3/20 0.32
KCNH2 Q12809 1/20 0.32
PTGFR P43088 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
HSPH1 Q92598 1/20 0.30
PPARD Q03181 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL403346 0.96 NTRK1 (0.42) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL402750 0.94 NTRK1 (0.40) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL400959 0.94 NTRK1 (0.40) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL401173 0.94 NTRK1 (0.42) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL400194 0.93 NTRK1 (0.39) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL401988 0.93 NTRK1 (0.39) NTRK1NTRK2PPARGPPARAPLK1
Hydrochloric Acid SCHEMBL401987 0.92 NTRK1 (0.39) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL10205609 0.91 NTRK1 (0.42) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL400298 0.91 NTRK1 (0.41) NTRK1NTRK2PPARGPPARAPLK1
SCHEMBL402646 0.91 NTRK1 (0.38) NTRK1NTRK2PPARGPPARAPLK1

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 NTRK1 3420/4885NTRK2 2775/4885PPARG 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.