SCHEMBL1367485

SCHEMBL1367485

CS(=O)(=O)c1cccc(N(Cc2cccnc2N2CCS(=O)(=O)c3ccccc32)c2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.32
MET P08581 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PDE4A P27815 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
PTK2 Q05397 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL1368259 0.95 TAAR1 (0.34) TAAR1PTGDR2KCNA5HCRTR1HCRTR2
SCHEMBL1367483 0.90 TAAR1 (0.33) TAAR1PTGDR2KCNA5METHRH4
SCHEMBL1367588 0.86 TAAR1 (0.36) TAAR1KCNA5KCNH2PIK3CDPIK3R2
SCHEMBL1368262 0.86 TAAR1 (0.34) TAAR1PTGDR2
SCHEMBL1367521 0.84 TAAR1 (0.33) TAAR1KCNA5METPDE4AJAK2
SCHEMBL1366620 0.82 KCNA5 (0.33) KCNA5
SCHEMBL1366690 0.79 TAAR1 (0.34) TAAR1KCNA5
SCHEMBL885595 0.79 KCNA5 (0.37) PTGDR2KCNA5KCNH2
SCHEMBL1368281 0.79 KCNA5 (0.31) KCNA5
SCHEMBL1367886 0.77 HCRTR1 (0.33) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US 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 (1 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 TAAR1 930/4885PTGDR2 2383/4885KCNA5 20/4885

“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.