SCHEMBL18541124

SCHEMBL18541124

COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(OCCC(F)(F)F)n(COCCS(C)(C)C)n3)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.67
EPHX2 P34913 4/20 0.39
SCN9A Q15858 3/20 0.35
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 2/20 0.35

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
SCHEMBL21064802 0.94 DGAT1 (0.71) DGAT1SCN9A
SCHEMBL20428727 0.91 DGAT1 (0.70) DGAT1EPHX2SCN9AKCNH2SCN5A
SCHEMBL18541127 0.91 DGAT1 (0.81) DGAT1
SCHEMBL16661343 0.90 DGAT1 (0.83) DGAT1EPHX2SCN9AKCNH2SCN5A
SCHEMBL21064878 0.87 DGAT1 (0.67) DGAT1SCN9A
SCHEMBL18541129 0.85 DGAT1 (0.67) DGAT1
SCHEMBL16661347 0.85 DGAT1 (0.58) DGAT1KCNH2
SCHEMBL18541121 0.84 DGAT1 (0.82) DGAT1
SCHEMBL18541128 0.84 DGAT1 (0.82) DGAT1
SCHEMBL18541122 0.83 DGAT1 (0.82) DGAT1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 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-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885EPHX2 2709/4885SCN9A 1345/4885

“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.