SCHEMBL21064802

SCHEMBL21064802

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

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.71
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 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
SCHEMBL18541127 0.94 DGAT1 (0.81) DGAT1
SCHEMBL18541124 0.94 DGAT1 (0.67) DGAT1SCN9A
SCHEMBL16661189 0.89 DGAT1 (0.88) DGAT1CYP1A2L3MBTL1SCN9A
SCHEMBL21064878 0.88 DGAT1 (0.67) DGAT1SCN9A
SCHEMBL21064777 0.87 DGAT1 (0.55) DGAT1
SCHEMBL16661212 0.86 DGAT1 (0.54) DGAT1
SCHEMBL18541129 0.86 DGAT1 (0.67) DGAT1
SCHEMBL16661347 0.86 DGAT1 (0.58) DGAT1L3MBTL1
SCHEMBL18541121 0.85 DGAT1 (0.82) DGAT1
SCHEMBL18541128 0.85 DGAT1 (0.82) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 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-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885CYP1A2 424/4885L3MBTL1 894/4885

“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.