SCHEMBL553209

SCHEMBL553209

CC(C)(C)CCNCc1ccc(B(O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.32
EPHX2 P34913 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 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
SCHEMBL552018 0.79 HRH4 (0.38) TSHR
SCHEMBL552107 0.78 HRH4 (0.44) TSHRMEN1KMT2A
SCHEMBL552368 0.78 TSHR (0.34) TSHRMEN1EPHX2KMT2ATP53
SCHEMBL552687 0.77 HRH4 (0.42) MEN1KMT2A
SCHEMBL553253 0.76 CA2 (0.41) TSHRMEN1EPHX2KMT2ATHRB
SCHEMBL552217 0.76 CA2 (0.41)
SCHEMBL553610 0.74 KDM4E (0.47) MEN1KMT2ATHRB
SCHEMBL552351 0.73 SMN1; SMN2 (0.56) TSHRKMT2ATP53
SCHEMBL552616 0.73 KDM4E (0.37) TSHRMEN1KMT2ATHRB
SCHEMBL552181 0.72 TSHR (0.34) TSHR

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 3204/4885MEN1 4042/4885EPHX2 1560/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA TSHR 3204/4885MEN1 4042/4885EPHX2 1560/4885

“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.