SCHEMBL5065981

SCHEMBL5065981

CCOC(=O)C(COC(=O)Oc1c(F)cc(NC(=O)c2c(C)cccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1F)(C(=O)OCC)c1cccs1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTTP P55157 2/20 0.31
KCNH2 Q12809 1/20 0.31
KLRK1 P26718 2/20 0.30
MICA Q29983 2/20 0.30
RAET1L Q5VY80 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30
NTRK1 P04629 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
SCHEMBL5064926 0.91 MTTP (0.38) MTTPKLRK1MICARAET1LNTRK1
SCHEMBL5065024 0.90 MTTP (0.39) MTTP
SCHEMBL5064935 0.90 MTTP (0.35) MTTPKCNH2KLRK1MICARAET1L
SCHEMBL14031658 0.90 NTRK1 (0.35) MTTPKCNH2KLRK1MICARAET1L
SCHEMBL5065990 0.90 MTTP (0.31) MTTP
SCHEMBL5065873 0.89 NTRK1 (0.33) MTTPKCNH2KLRK1MICARAET1L
SCHEMBL5064968 0.88 MTTP (0.34) MTTPKCNH2KCNQ3KCNQ2KCNQ4
SCHEMBL5066053 0.87 MTTP (0.33) MTTPMAPTHTTNPSR1NTRK1
SCHEMBL5065147 0.86 RXFP1 (0.35) MTTPMAPT
SCHEMBL5068058 0.86 MTTP (0.38) MTTPKLRK1MICARAET1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP claimed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP MTTP 1/4885KCNH2 4481/4885KLRK1 3940/4885

“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.