SCHEMBL399538

SCHEMBL399538

CCOC(=O)c1ccc(OC(=O)CCCc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.44
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
PLK1 P53350 1/20 0.40
KLRK1 P26718 2/20 0.38
MICA Q29983 2/20 0.38
RAET1L Q5VY80 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL402680 0.94 MTTP (0.42) MTTPPLK1KLRK1MICARAET1L
SCHEMBL403562 0.94 MTTP (0.44) MTTPELANEPRTN3PLK1PPARG
SCHEMBL403073 0.94 MTTP (0.45) MTTPPLK1PPARGPPARDPPARA
SCHEMBL5319240 0.94 MTTP (0.46) MTTPPPARGPPARDPPARANR1H4
SCHEMBL401824 0.93 MTTP (0.43) MTTPPLK1KLRK1MICARAET1L
SCHEMBL398636 0.93 MTTP (0.42) MTTPPLK1KLRK1MICARAET1L
SCHEMBL402034 0.92 MTTP (0.44) MTTPPPARGPPARDPPARANR1H4
SCHEMBL403565 0.92 MTTP (0.41) MTTPPLK1KLRK1MICARAET1L
SCHEMBL401598 0.92 KLRK1 (0.42) MTTPKLRK1MICARAET1L
SCHEMBL402312 0.91 MTTP (0.44) MTTPPLK1PPARGPPARDPPARA

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 MTTP 1/4885ELANE 452/4885PRTN3 2224/4885

“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.