SCHEMBL5065189

SCHEMBL5065189

CCC(C)OC(=O)C(COC(=O)Oc1ccc(NC(=O)c2cnc(NC)nc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.36
LCK P06239 5/20 0.35
LMNA P02545 1/20 0.34
KDR P35968 4/20 0.33
MAPK14 Q16539 3/20 0.33
F10 P00742 1/20 0.33
TEK Q02763 3/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
AURKA O14965 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
NTRK1 P04629 1/20 0.32
INSR P06213 1/20 0.32
FES P07332 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL5066068 0.93 CASR (0.40) CASRLMNAF10JUNNFKB1
SCHEMBL5065185 0.90 LCK (0.39) CASRLCKLMNAKDRMAPK14
SCHEMBL5065208 0.90 CASR (0.31) CASRF10NTRK1RXFP1MTTP
SCHEMBL5061983 0.89 TRPV1 (0.35) F10RXFP1MTTP
SCHEMBL5065150 0.87 MTTP (0.41) MTTP
SCHEMBL5062419 0.84 MTTP (0.36) MTTP
SCHEMBL5066043 0.82 CASR (0.43) CASRLMNAF10JUNNFKB1
SCHEMBL5061900 0.82 MTTP (0.38) MTTP
SCHEMBL5068141 0.80 MTTP (0.39) MTTP
SCHEMBL5064982 0.80 MTTP (0.39) MTTP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP CASR 4802/4885LCK 3393/4885LMNA 2938/4885

“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.