SCHEMBL5065208

SCHEMBL5065208

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

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.31
NTRK1 P04629 2/20 0.31
NTRK2 Q16620 1/20 0.31
F10 P00742 1/20 0.31
RORC P51449 1/20 0.31
MTTP P55157 6/20 0.31
RXFP1 Q9HBX9 2/20 0.30
PTPN1 P18031 2/20 0.30
IGF2BP2 Q9Y6M1 1/20 0.30

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
SCHEMBL5061983 0.91 TRPV1 (0.35) F10MTTPRXFP1
SCHEMBL5065189 0.90 CASR (0.36) CASRNTRK1F10MTTPRXFP1
SCHEMBL5066068 0.90 CASR (0.40) CASRF10MTTPRXFP1
SCHEMBL5065207 0.89 NTRK1 (0.35) CASRNTRK1NTRK2F10RORC
SCHEMBL5065150 0.88 MTTP (0.41) MTTP
SCHEMBL5062419 0.87 MTTP (0.36) MTTP
SCHEMBL5061900 0.83 MTTP (0.38) MTTP
SCHEMBL5065162 0.83 NTRK1 (0.42) CASRNTRK1NTRK2F10MTTP
SCHEMBL5068141 0.82 MTTP (0.39) MTTP
SCHEMBL5068094 0.80 MTTP (0.34) 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 4802/4885NTRK1 4115/4885NTRK2 3028/4885

“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.