SCHEMBL3794184

SCHEMBL3794184

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.48
▸ FBP1 P09467 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL4415445 0.94 CNR2 (0.44) CNR2RIPK1TSHR
SCHEMBL3799616 0.79 CNR2 (0.59) CNR2FBP1RORCTSHR
SCHEMBL3800355 0.77 CNR2 (0.44) CNR2
SCHEMBL3797729 0.75 CNR2 (0.45) CNR2FBP1RORCTSHRPOLB
SCHEMBL3141139 0.73 CES2 (0.34) —
SCHEMBL11365709 0.72 ATM (0.44) CNR2FBP1POLBMAPT
SCHEMBL10179743 0.72 CES2 (0.42) RIPK1
SCHEMBL14035562 0.70 CNR2 (0.45) CNR2RORCTSHRMAPT
SCHEMBL31292359 0.70 CNR2 (0.45) CNR2FBP1RORCTSHRMAPT
SCHEMBL30192734 0.70 CNR2 (0.45) CNR2RORCTSHRMAPT

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 1616/4885FBP1 395/4885RORC 3263/4885

“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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