SCHEMBL402751

SCHEMBL402751

CCOC(=O)c1cc(C)c(OC(=O)CCCc2ccc(NC(=O)c3ccc(C)nc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
PLK1 P53350 5/20 0.39
SORT1 Q99523 6/20 0.33
PRSS12 P56730 1/20 0.33
MTTP P55157 1/20 0.33
ATF1 P18846 1/20 0.33
NFKB1 P19838 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAOB P27338 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL10205609 0.96 NTRK1 (0.42) NTRK1NTRK2PLK1MTTPATF1
SCHEMBL402835 0.96 NTRK1 (0.40) NTRK1NTRK2PLK1MTTPATF1
SCHEMBL401854 0.94 NTRK1 (0.40) NTRK1NTRK2PLK1SORT1PRSS12
SCHEMBL401877 0.93 NTRK1 (0.39) NTRK1NTRK2PLK1SORT1PRSS12
SCHEMBL401200 0.93 NTRK1 (0.40) NTRK1NTRK2PLK1PRSS12MTTP
SCHEMBL401065 0.93 NTRK1 (0.39) NTRK1NTRK2PLK1SORT1PRSS12
SCHEMBL403797 0.93 NTRK1 (0.40) NTRK1NTRK2PLK1MTTPATF1
SCHEMBL403407 0.92 PRSS12 (0.34) NTRK1NTRK2PLK1SORT1PRSS12
SCHEMBL402750 0.92 NTRK1 (0.40) NTRK1NTRK2PLK1MTTPPPARG
SCHEMBL5316686 0.92 NTRK1 (0.42) NTRK1NTRK2PLK1SORT1MTTP

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
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
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 NTRK1 3420/4885NTRK2 2775/4885PLK1 4544/4885

“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.