SCHEMBL1367521

SCHEMBL1367521

CS(=O)(=O)c1cccc(N(Cc2cccnc2N2CCSc3ccccc32)c2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MET P08581 1/20 0.31
NOTUM Q6P988 1/20 0.31
TP53 P04637 2/20 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

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
SCHEMBL1366690 0.95 TAAR1 (0.34) TAAR1KCNA5ALDH1A1MAPT
SCHEMBL1367485 0.84 TAAR1 (0.33) TAAR1KCNA5METPDE4AJAK2
SCHEMBL1367483 0.81 TAAR1 (0.33) TAAR1KCNA5METPDE4AJAK2
SCHEMBL1367898 0.81 KDM4E (0.32) KCNA5ALDH1A1MAPTNOTUMTP53
SCHEMBL1368259 0.79 TAAR1 (0.34) TAAR1KCNA5
SCHEMBL1368808 0.77 KDM4E (0.31) ALDH1A1MAPT
SCHEMBL1367811 0.77 GRM5 (0.32) KCNA5ALDH1A1
SCHEMBL1368262 0.77 TAAR1 (0.34) TAAR1ALDH1A1
SCHEMBL1366823 0.77 GRM5 (0.33) KCNA5
SCHEMBL14450912 0.76 KDM4E (0.30) ALDH1A1MAPT

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 9 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
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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 (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 930/4885KCNA5 20/4885ALDH1A1 1611/4885

“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.