SCHEMBL3799616

SCHEMBL3799616

CCOC(=O)C(C)(C)c1cc(O)c(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.59
▸ CNR1 P21554 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PTPN11 Q06124 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
SCHEMBL3797729 0.80 CNR2 (0.45) CNR2RORCFBP1ABCB11CYP1A2
SCHEMBL3794184 0.79 CNR2 (0.48) CNR2RORCFBP1TSHR
SCHEMBL28160417 0.77 CNR2 (0.57) CNR2CNR1RORCCA12CA1
SCHEMBL30192734 0.75 CNR2 (0.45) CNR2RORCTSHR
SCHEMBL31292359 0.75 CNR2 (0.45) CNR2RORCFBP1TSHR
SCHEMBL23198601 0.75 CNR2 (0.79) CNR2CNR1NR1H2NR1H3CA12
SCHEMBL15515950 0.75 CNR2 (1.00) CNR2CNR1
SCHEMBL14035562 0.75 CNR2 (0.45) CNR2RORCTSHR
SCHEMBL31292346 0.74 CNR2 (0.45) CNR2CNR1RORCCA12CA1
SCHEMBL4415445 0.74 CNR2 (0.44) CNR2TSHR

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-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 — — US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB CNR2 1616/4885CNR1 1381/4885NR1H2 1105/4885

“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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