SCHEMBL398337

SCHEMBL398337

COc1cc(C(=O)OC(C)C)cc(F)c1OC(=O)CCCc1ccc(NC(=O)c2ccc(C)nc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
PPARA Q07869 3/20 0.35
PPARG P37231 1/20 0.35
MTTP P55157 7/20 0.34
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MCHR1 Q99705 1/20 0.31
SOS1 Q07889 2/20 0.30
PLK1 P53350 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
LMNA P02545 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
SCHEMBL403475 0.96 NTRK1 (0.39) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL401879 0.95 NTRK1 (0.37) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL10205611 0.94 NTRK1 (0.37) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL399925 0.94 NTRK1 (0.36) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL400298 0.91 NTRK1 (0.41) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL403479 0.89 NTRK1 (0.38) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL402008 0.89 NTRK1 (0.41) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL403369 0.89 NTRK1 (0.39) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL400194 0.89 NTRK1 (0.39) NTRK1NTRK2PPARAPPARGMTTP
SCHEMBL401876 0.89 NTRK1 (0.39) NTRK1NTRK2PPARAPPARGMTTP

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 2775/4885PPARA 119/4885

“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.