SCHEMBL402910

SCHEMBL402910

CN(C)C(=O)c1cc(CC(=O)Oc2ccc(F)cc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
MTTP P55157 12/20 0.44
APOB P04114 1/20 0.42
KLRK1 P26718 3/20 0.42
MICA Q29983 3/20 0.42
RAET1L Q5VY80 3/20 0.42
MAPT P10636 1/20 0.41
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
SCHEMBL402457 0.94 MTTP (0.48) MTTPAPOBKLRK1MICARAET1L
SCHEMBL13580512 0.89 MTTP (0.50) MTTPAPOBKLRK1MICARAET1L
SCHEMBL403325 0.86 MTTP (0.47) MTTPAPOBKLRK1MICARAET1L
SCHEMBL2597850 0.85 PPARG (0.53) MTTPAPOBKLRK1MICARAET1L
SCHEMBL403078 0.83 MTTP (0.47) MTTPAPOBMAPTALDH1A1HPGD
SCHEMBL3723560 0.83 MTTP (0.51) MTTPKLRK1MICARAET1L
SCHEMBL401334 0.83 MTTP (0.45) MTTPAPOB
SCHEMBL401229 0.83 MTTP (0.46) MTTP
SCHEMBL5319240 0.82 MTTP (0.46) MTTPAPOBALDH1A1HPGDKMT2A
SCHEMBL403029 0.82 MTTP (0.47) MTTPAPOBALDH1A1HPGDKMT2A

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 NTRK1 3420/4885MTTP 1/4885APOB 46/4885

“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.