SCHEMBL552158

SCHEMBL552158

CCNCc1ccc(B(O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
PRMT6 Q96LA8 1/20 0.33
CA2 P00918 1/20 0.32
CYP2E1 P05181 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 0.83 HRH4 (0.38) TSHRCYP2D6CYP2C19
SCHEMBL552743 0.82 TSHR (0.34) TSHRTP53THRB
SCHEMBL553400 0.81 TSHR (0.36) TSHRTP53THRBPRMT6
SCHEMBL552369 0.80 TSHR (0.33) TSHRTP53THRB
SCHEMBL552902 0.80 TSHR (0.33) TSHRTP53THRB
SCHEMBL553253 0.79 CA2 (0.41) TSHRTHRBCA2
SCHEMBL14740665 0.79 TSHR (0.43) TSHRCA2CYP2E1CYP2D6CYP2A6
SCHEMBL552233 0.78 HRH3 (0.45) TSHRTP53CA2
SCHEMBL552368 0.78 TSHR (0.34) TSHRTP53THRBCA2
SCHEMBL6963519 0.78 TSHR (0.46) TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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.