SCHEMBL552616

SCHEMBL552616

CCCOCCCNCc1ccc(B(O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CA2 P00918 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN8A Q9UQD0 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL553610 0.90 KDM4E (0.47) KDM4EPOLBTHRBTDP1SMN1; SMN2
SCHEMBL552018 0.86 HRH4 (0.38) KDM4ESMN1; SMN2TSHRLMNAHDAC3
SCHEMBL552217 0.85 CA2 (0.41) KDM4ESMN1; SMN2ALDH1A1CA2SCN8A
SCHEMBL552107 0.84 HRH4 (0.44) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL552687 0.83 HRH4 (0.42) SMN1; SMN2MEN1KMT2ALMNAHDAC3
SCHEMBL553253 0.82 CA2 (0.41) KDM4EPOLBTHRBTDP1ALDH1A1
SCHEMBL552351 0.81 SMN1; SMN2 (0.56) POLBSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL552233 0.79 HRH3 (0.45) POLBSMN1; SMN2ALDH1A1CA2TSHR
SCHEMBL552158 0.76 TSHR (0.39) THRBCA2TSHR
SCHEMBL553209 0.73 TSHR (0.34) THRBTSHRMEN1KMT2A

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 KDM4E 1113/4885POLB 1907/4885THRB 2366/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA KDM4E 1113/4885POLB 1907/4885THRB 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.