SCHEMBL15564816

SCHEMBL15564816

CCOC(=O)C(=[N+]=[N-])C1(O)CCC(c2cnn(COCC[Si](C)(C)C)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.35
▸ KLKB1 P03952 1/20 0.32

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
SCHEMBL25287756 0.74 DGAT1 (0.37) DGAT1KLKB1
SCHEMBL15564194 0.73 DGAT1 (0.35) DGAT1KLKB1
SCHEMBL20299094 0.72 DGAT1 (0.34) DGAT1KLKB1
SCHEMBL2679694 0.72 DGAT1 (0.31) DGAT1KLKB1
SCHEMBL584369 0.71 KLKB1 (0.35) DGAT1KLKB1
SCHEMBL584835 0.70 GPR119 (0.31) DGAT1
SCHEMBL16766379 0.68 KLKB1 (0.40) DGAT1KLKB1
SCHEMBL17723736 0.68 L3MBTL1 (0.39) DGAT1KLKB1
SCHEMBL16789907 0.67 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL15564580 0.67 HCAR2 (0.41) DGAT1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2016-11-10 — — US disclosed
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2016-11-10 — — US disclosed
EP-2882718-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2015-06-17 — — EP disclosed
US-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2015-06-11 — — US disclosed
US-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2015-06-11 — — US disclosed
WO-2014023258-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-02-13 — — 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 (2 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-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DGAT1 4333/4885KLKB1 3857/4885
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DGAT1 4333/4885KLKB1 3857/4885

“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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