SCHEMBL403302

SCHEMBL403302

COC(=O)c1ccc(OC(=O)CCCc2ccc(NC(=O)c3ccncc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 3/20 0.40
MICA Q29983 3/20 0.40
RAET1L Q5VY80 3/20 0.40
MTTP P55157 5/20 0.38
SLC2A1 P11166 2/20 0.37
DGAT2 Q96PD7 1/20 0.37
KCNH2 Q12809 1/20 0.36
PLK1 P53350 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
ROCK2 O75116 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
HSPH1 Q92598 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 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
SCHEMBL403088 0.93 KLRK1 (0.40) KLRK1MICARAET1LMTTPSLC2A1
SCHEMBL14466481 0.93 KLRK1 (0.37) KLRK1MICARAET1LMTTPSLC2A1
SCHEMBL5319240 0.90 MTTP (0.46) MTTPPPARGPPARAKMT2A
SCHEMBL401591 0.89 PPARG (0.38) MTTPKCNH2PLK1PPARGPPARA
SCHEMBL403565 0.87 MTTP (0.41) KLRK1MICARAET1LMTTPSLC2A1
SCHEMBL403014 0.86 MTTP (0.41) MTTPKCNH2PPARGPPARAHIF1A
SCHEMBL402082 0.86 KCNH2 (0.38) MTTPSLC2A1KCNH2PLK1PPARG
SCHEMBL403078 0.86 MTTP (0.47) MTTPPPARGPPARAHSPH1MAPT
SCHEMBL10205546 0.85 NTRK1 (0.42) MTTPKCNH2PLK1PPARGPPARA
SCHEMBL401824 0.84 MTTP (0.43) KLRK1MICARAET1LMTTPPLK1

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 KLRK1 4188/4885MICA 2273/4885RAET1L 2459/4885

“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.