SCHEMBL402135

SCHEMBL402135

CN(CC(=O)O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.51
APOB P04114 3/20 0.47
TACR1 P25103 1/20 0.46
KLRK1 P26718 3/20 0.45
MICA Q29983 3/20 0.45
RAET1L Q5VY80 3/20 0.45
F10 P00742 1/20 0.44

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
SCHEMBL401450 0.92 MTTP (0.49) MTTPAPOBTACR1KLRK1MICA
SCHEMBL2597850 0.90 PPARG (0.53) MTTPAPOBTACR1KLRK1MICA
SCHEMBL400773 0.88 PPARA (0.55) MTTPAPOBTACR1KLRK1MICA
SCHEMBL399742 0.86 MTTP (0.49) MTTPAPOBTACR1KLRK1MICA
SCHEMBL403029 0.85 MTTP (0.47) MTTPAPOB
SCHEMBL402136 0.85 MTTP (0.48) MTTPAPOBTACR1KLRK1MICA
SCHEMBL13580512 0.84 MTTP (0.50) MTTPAPOBKLRK1MICARAET1L
SCHEMBL14031471 0.83 KLRK1 (0.52) MTTPAPOBKLRK1MICARAET1L
SCHEMBL402457 0.83 MTTP (0.48) MTTPAPOBTACR1KLRK1MICA
SCHEMBL403174 0.83 MTTP (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 46/4885TACR1 2602/4885

“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.