SCHEMBL403088

SCHEMBL403088

CC(C)OC(=O)c1ccc(OC(=O)CCCc2ccc(NC(=O)c3ccncc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 7/20 0.40
MICA Q29983 7/20 0.40
RAET1L Q5VY80 7/20 0.40
MTTP P55157 7/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
HSPH1 Q92598 1/20 0.35
PLK1 P53350 1/20 0.34
SLC2A1 P11166 1/20 0.34
ROCK2 O75116 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL403302 0.93 KLRK1 (0.40) KLRK1MICARAET1LMTTPHIF1A
SCHEMBL402437 0.91 MTTP (0.44) MTTP
SCHEMBL400448 0.87 TRPV1 (0.38) MTTPHSPH1PLK1KCNH2
SCHEMBL14466481 0.87 KLRK1 (0.37) KLRK1MICARAET1LMTTPHIF1A
SCHEMBL401283 0.85 NTRK1 (0.40) MTTPHSPH1PLK1KCNH2
SCHEMBL5319586 0.85 MTTP (0.42) KLRK1MICARAET1LMTTP
SCHEMBL403565 0.85 MTTP (0.41) KLRK1MICARAET1LMTTPPLK1
SCHEMBL401826 0.84 MTTP (0.46) MTTP
SCHEMBL403014 0.84 MTTP (0.41) MTTPHIF1AEPAS1KCNH2
SCHEMBL5319240 0.83 MTTP (0.46) MTTP

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 KLRK1 4188/4885MICA 2273/4885RAET1L 2459/4885

“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.