SCHEMBL406820

SCHEMBL406820

CCCS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ RECQL P46063 1/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ GPR119 Q8TDV5 7/20 0.45
▸ STS P08842 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4551423 0.90 HPGD (0.45) HPGDRECQLEPHX1GPR119STS
SCHEMBL1514778 0.89 EPHX1 (0.52) HPGDRECQLEPHX1GPR119STS
SCHEMBL1088787 0.83 GPR119 (0.46) HPGDRECQLEPHX1GPR119STS
SCHEMBL16497005 0.82 HPGD (0.48) HPGDRECQLEPHX1GPR119STS
SCHEMBL25176980 0.80 NR1H2 (0.43) HPGDRECQLEPHX1GPR119STS
SCHEMBL8624108 0.80 HPGD (0.46) HPGDRECQLEPHX1GPR119STS
SCHEMBL1180780 0.80 EPHX1 (0.47) HPGDRECQLEPHX1GPR119STS
SCHEMBL15477857 0.80 HPGD (0.46) HPGDRECQLEPHX1GPR119STS
SCHEMBL189924 0.80 RECQL (0.55) HPGDRECQLEPHX1GPR119STS
Methane SCHEMBL28121361 0.80 HPGD (0.54) HPGDRECQLEPHX1GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 — — US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 — — US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 — — US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 — — WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT HPGD 1034/4885RECQL 3885/4885EPHX1 1310/4885

“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.

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