SCHEMBL400444

SCHEMBL400444

CN(C)C(=O)c1cc(CCCC(=O)Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.41
RXFP1 Q9HBX9 1/20 0.40
APOB P04114 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KLRK1 P26718 3/20 0.38
MICA Q29983 3/20 0.38
RAET1L Q5VY80 3/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 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
SCHEMBL401334 0.90 MTTP (0.45) MTTPRXFP1APOB
SCHEMBL401229 0.90 MTTP (0.46) MTTP
SCHEMBL5319240 0.89 MTTP (0.46) MTTPRXFP1APOBALDH1A1HPGD
SCHEMBL402312 0.88 MTTP (0.44) MTTPAPOB
SCHEMBL402738 0.88 MTTP (0.44) MTTP
SCHEMBL399538 0.87 MTTP (0.44) MTTPKLRK1MICARAET1L
SCHEMBL403325 0.87 MTTP (0.47) MTTPAPOBFFAR1FFAR4KLRK1
SCHEMBL402437 0.86 MTTP (0.44) MTTPAPOB
SCHEMBL403073 0.86 MTTP (0.45) MTTP
SCHEMBL402680 0.86 MTTP (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885RXFP1 3458/4885APOB 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.