SCHEMBL552233

SCHEMBL552233

COCCNCc1ccc(B(O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
CA2 P00918 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
CHEK1 O14757 1/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL552217 0.91 CA2 (0.41) HRH3CA2L3MBTL1LMNAALDH1A1
SCHEMBL553253 0.85 CA2 (0.41) HRH3CA2LMNATSHRALDH1A1
SCHEMBL553610 0.80 KDM4E (0.47) HTTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL552018 0.79 HRH4 (0.38) HRH3LMNATSHRSMN1; SMN2
SCHEMBL552351 0.79 SMN1; SMN2 (0.56) HRH3L3MBTL1HTTLMNATSHR
SCHEMBL552616 0.79 KDM4E (0.37) CA2LMNATSHRALDH1A1POLB
SCHEMBL552158 0.78 TSHR (0.39) CA2TSHRTP53
SCHEMBL553209 0.78 TSHR (0.34) TSHRTP53
SCHEMBL552107 0.78 HRH4 (0.44) HRH3LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL552368 0.78 TSHR (0.34) HRH3CA2L3MBTL1HTTTSHR

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 HRH3 568/4885CA2 1816/4885L3MBTL1 3858/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HRH3 568/4885CA2 1816/4885L3MBTL1 3858/4885

“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.