SCHEMBL4458284

SCHEMBL4458284

CS(=O)(=O)c1ccc(N(c2ccc(C(F)(F)F)nc2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.44
PTGS1 P23219 2/20 0.43
KCNH2 Q12809 2/20 0.40
MAP4K4 O95819 1/20 0.40
PIK3CA P42336 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
SYK P43405 1/20 0.38
CYP3A4 P08684 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4462676 0.91 PTGS2 (0.41) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL4459544 0.85 RORC (0.47) PTGS2PTGS1PDE4APDE4BPDE4C
SCHEMBL4468111 0.85 PTGS2 (0.43) PTGS2PTGS1PDE4APDE4BPDE4C
SCHEMBL4461901 0.82 CYP3A4 (0.52) PTGS2PTGS1CYP3A4
SCHEMBL4456792 0.79 CYP3A4 (0.44) PTGS2PTGS1PDE4BCYP3A4
SCHEMBL4459549 0.77 TSHR (0.46) PTGS2PTGS1KCNH2CYP3A4L3MBTL1
SCHEMBL4458283 0.77 KCNA5 (0.44) PTGS2KCNH2CYP3A4L3MBTL1
SCHEMBL4472842 0.77 TAAR1 (0.40) PTGS2PTGS1PDE4APDE4BPDE4C
SCHEMBL4460584 0.77 TAAR1 (0.44) PTGS2
SCHEMBL4457222 0.76 TAAR1 (0.43) PTGS2

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-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
WO-2007089679-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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 PTGS2 3086/4885PTGS1 3089/4885KCNH2 2/4885

“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.