SCHEMBL5064968

SCHEMBL5064968

CCOC(=O)C(COC(=O)Oc1c(F)cc(NC(=O)c2cccc(F)c2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1F)(C(=O)OCC)c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.34
SMO Q99835 8/20 0.34
APOB P04114 9/20 0.33
ADAMTS7 Q9UKP4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
KCNH2 Q12809 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 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
SCHEMBL5065024 0.95 MTTP (0.39) MTTPSMOAPOB
SCHEMBL5065147 0.94 RXFP1 (0.35) MTTPSMOAPOBADAMTS7KDM4E
SCHEMBL5064926 0.91 MTTP (0.38) MTTPAPOBHPGD
SCHEMBL14031658 0.90 NTRK1 (0.35) MTTPAPOBKCNH2
SCHEMBL5064935 0.89 MTTP (0.35) MTTPAPOBKCNH2KCNQ3KCNQ2
SCHEMBL5065873 0.89 NTRK1 (0.33) MTTPAPOBKCNH2KCNQ3KCNQ2
SCHEMBL5064988 0.89 MTTP (0.31) MTTPSMOAPOB
SCHEMBL5065981 0.88 MTTP (0.31) MTTPKCNH2KCNQ3KCNQ2KCNQ4
SCHEMBL5065965 0.88 NTRK1 (0.40)
SCHEMBL5066053 0.87 MTTP (0.33) MTTPKDM4EHPGD

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 MTTP 1/4885SMO 4386/4885APOB 39/4885

“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.