SCHEMBL5065137

SCHEMBL5065137

CCOC(=O)C(COC(=O)Oc1cc(C(=O)N(C)C)c(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1Cl)(C(=O)OCC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.40
KLRK1 P26718 4/20 0.40
MICA Q29983 4/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
RAET1L Q5VY80 3/20 0.39
APOB P04114 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5069281 0.93 MTTP (0.42) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL5065115 0.92 MTTP (0.41) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL5065140 0.89 MTTP (0.39) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL5069238 0.88 MTTP (0.41) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL5065148 0.88 MTTP (0.44) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL5064980 0.86 MTTP (0.41) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL5069239 0.85 MTTP (0.44) MTTPKLRK1MICARAET1LAPOB
SCHEMBL5068166 0.83 MTTP (0.41) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL14031701 0.83 MTTP (0.42) MTTPKLRK1MICAALDH1A1HPGD
SCHEMBL5065222 0.82 MTTP (0.41) MTTPKLRK1MICARAET1LAPOB

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 1/4885KLRK1 3940/4885MICA 1766/4885

“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.