SCHEMBL402584

SCHEMBL402584

COC(=O)c1ccc(OC(=O)CCCc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cn3)c(C(=O)N(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 8/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
PLK1 P53350 1/20 0.36
ELANE P08246 1/20 0.35
PRTN3 P24158 1/20 0.35
LIPE Q05469 1/20 0.35
F10 P00742 1/20 0.35
HSPH1 Q92598 1/20 0.34

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
SCHEMBL5319240 0.91 MTTP (0.46) MTTPRXFP1PPARGPPARDPPARA
SCHEMBL403078 0.86 MTTP (0.47) MTTPMAPTRXFP1PPARGPPARD
SCHEMBL401236 0.86 LPAR1 (0.40) MTTPKCNH2MAPTSMN1; SMN2NR1H4
SCHEMBL401824 0.85 MTTP (0.43) MTTPRXFP1PPARGPPARDPPARA
SCHEMBL399538 0.85 MTTP (0.44) MTTPPPARGPPARDPPARANR1H4
SCHEMBL401229 0.84 MTTP (0.46) MTTPPPARGPPARDPPARANR1H4
SCHEMBL401334 0.84 MTTP (0.45) MTTPRXFP1PPARGPPARDPPARA
SCHEMBL402034 0.84 MTTP (0.44) MTTPRXFP1PPARGPPARDPPARA
SCHEMBL402082 0.84 KCNH2 (0.38) MTTPKCNH2RXFP1PPARGPPARD
SCHEMBL402437 0.84 MTTP (0.44) MTTPPPARGPPARDPPARANR1H4

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 8 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
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 1/4885KCNH2 4171/4885LMNA 2858/4885

“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.