SCHEMBL401451

SCHEMBL401451

COC(=O)CNCCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTTP P55157 15/20 0.47
APOB P04114 3/20 0.42
KLRK1 P26718 3/20 0.42
MICA Q29983 3/20 0.42
RAET1L Q5VY80 3/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL402136 0.92 MTTP (0.48) MTTPAPOBKLRK1MICARAET1L
SCHEMBL403030 0.90 MTTP (0.45) MTTPAPOBALDH1A1HPGDKMT2A
SCHEMBL5317960 0.89 MTTP (0.45) MTTP
SCHEMBL13580512 0.88 MTTP (0.50) MTTPAPOBKLRK1MICARAET1L
SCHEMBL401450 0.85 MTTP (0.49) MTTPAPOBKLRK1MICARAET1L
SCHEMBL400773 0.84 PPARA (0.55) MTTPAPOBKLRK1MICARAET1L
SCHEMBL401790 0.84 MTTP (0.47) MTTPAPOBKLRK1MICARAET1L
SCHEMBL403325 0.83 MTTP (0.47) MTTPAPOBKLRK1MICARAET1L
SCHEMBL399742 0.83 MTTP (0.49) MTTPAPOBKLRK1MICARAET1L
SCHEMBL2597850 0.82 PPARG (0.53) MTTPAPOBKLRK1MICARAET1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MTTP 1/4885APOB 46/4885KLRK1 4188/4885

“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.