SCHEMBL5062406

SCHEMBL5062406

CCOC(=O)C(COC(=O)Oc1ccc(NC(=O)c2ccc(C)cc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.38
RXFP1 Q9HBX9 3/20 0.34
KLRK1 P26718 2/20 0.34
MICA Q29983 2/20 0.34
RAET1L Q5VY80 2/20 0.34
IGF2BP2 Q9Y6M1 1/20 0.34
NTRK1 P04629 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
SCHEMBL5065148 0.94 MTTP (0.44) MTTPKLRK1MICARAET1L
SCHEMBL5068092 0.92 MTTP (0.34) MTTPNTRK1
SCHEMBL5062419 0.89 MTTP (0.36) MTTPKLRK1MICARAET1L
SCHEMBL5062030 0.88 MTTP (0.43) MTTPKLRK1MICARAET1L
SCHEMBL5065162 0.87 NTRK1 (0.42) MTTPRXFP1IGF2BP2NTRK1
SCHEMBL3722420 0.87 MTTP (0.39) MTTPRXFP1KLRK1MICARAET1L
SCHEMBL5065207 0.87 NTRK1 (0.35) MTTPRXFP1IGF2BP2NTRK1
SCHEMBL5068184 0.86 MTTP (0.44) MTTP
SCHEMBL14031684 0.86 MTTP (0.43) MTTPKLRK1MICARAET1L
SCHEMBL5061989 0.86 MTTP (0.45) 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 1/4885RXFP1 3022/4885KLRK1 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.