SCHEMBL5065185

SCHEMBL5065185

CCOC(=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)OCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.39
CASR P41180 1/20 0.38
KDR P35968 4/20 0.36
MAPK14 Q16539 3/20 0.36
LMNA P02545 1/20 0.36
F10 P00742 1/20 0.35
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
BMX P51813 3/20 0.34
TEK Q02763 2/20 0.34
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 1/20 0.34
FES P07332 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 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
SCHEMBL5066043 0.92 CASR (0.43) CASRLMNAF10JUNNFKB1
SCHEMBL5065189 0.90 CASR (0.36) LCKCASRKDRMAPK14LMNA
SCHEMBL5065162 0.89 NTRK1 (0.42) CASRLMNAF10NTRK1RXFP1
SCHEMBL5065207 0.88 NTRK1 (0.35) CASRLMNAF10NTRK1RXFP1
SCHEMBL5061956 0.87 F10 (0.36) F10NTRK1RXFP1KCNH2
SCHEMBL5065148 0.85 MTTP (0.44)
SCHEMBL5062406 0.83 MTTP (0.38) NTRK1RXFP1
SCHEMBL5066068 0.83 CASR (0.40) CASRLMNAF10JUNNFKB1
SCHEMBL14031657 0.82 NTRK1 (0.40) CASRMAPK14LMNAF10NTRK1
SCHEMBL5062030 0.80 MTTP (0.43)

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
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
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 LCK 3393/4885CASR 4802/4885KDR 2081/4885

“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.