SCHEMBL533817

SCHEMBL533817

COCCCc1ccccc1B(O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.62
ENPP2 Q13822 2/20 0.42
TSHR P16473 1/20 0.38
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
LIPE Q05469 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARD Q03181 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2543536 0.89 LIPG (0.56) LIPGENPP2TSHRORAI1ORAI2
SCHEMBL15745852 0.82 LIPG (0.88) LIPGENPP2
SCHEMBL29948801 0.80 LIPG (0.85) LIPGALOX5PTGS2
SCHEMBL1128560 0.80 LIPG (0.85) LIPGALOX5PTGS2
SCHEMBL747937 0.79 LIPG (0.96) LIPGALOX5PTGS2
SCHEMBL29670235 0.79 LIPG (0.96) LIPGALOX5PTGS2
SCHEMBL15184061 0.78 TSHR (0.39) LIPGTSHRALOX5PTGS2KDM4E
SCHEMBL29953487 0.77 CHRM2 (0.48) LIPGLMNA
SCHEMBL4449189 0.77 LIPG (1.00) LIPGTSHRALOX5PTGS2MEN1
SCHEMBL435360 0.77 LIPG (1.00) LIPGTSHRALOX5PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 LIPG 130/4885ENPP2 1348/4885TSHR 2112/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 LIPG 103/4885ENPP2 1266/4885TSHR 3174/4885

“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.