SCHEMBL553400

SCHEMBL553400

CC(C)(C)CNCc1ccc(B(O)O)s1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
PRMT6 Q96LA8 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
SCHEMBL553209 0.84 TSHR (0.34) TSHRTP53THRB
SCHEMBL552158 0.81 TSHR (0.39) TSHRTP53THRBPRMT6
SCHEMBL552018 0.75 HRH4 (0.38) TSHR
SCHEMBL552181 0.74 TSHR (0.34) TSHR
SCHEMBL552233 0.74 HRH3 (0.45) TSHRTP53
SCHEMBL552107 0.74 HRH4 (0.44) TSHR
SCHEMBL552743 0.74 TSHR (0.34) TSHRTP53THRB
SCHEMBL552368 0.74 TSHR (0.34) TSHRTP53THRB
SCHEMBL552450 0.73 MEN1 (0.39) TSHRTP53
SCHEMBL552902 0.73 TSHR (0.33) TSHRTP53THRB

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-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA TSHR 3204/4885TP53 2035/4885THRB 2366/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA TSHR 3204/4885TP53 2035/4885THRB 2366/4885

“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.