SCHEMBL4459544

SCHEMBL4459544

CS(=O)(=O)c1ccc(N(c2cccc(C(F)(F)F)c2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
PTGS2 P35354 6/20 0.46
PTGS1 P23219 1/20 0.46
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNA5 P22460 2/20 0.41
CYP3A4 P08684 3/20 0.41
CYP3A5 P20815 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
POLQ O75417 1/20 0.39
KIF11 P52732 1/20 0.38

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
SCHEMBL4459549 0.92 TSHR (0.46) RORCPTGS2PTGS1TSHRKMT2A
SCHEMBL4458284 0.85 PTGS2 (0.44) PTGS2PTGS1CYP3A4PDE4APDE4B
SCHEMBL4462676 0.84 PTGS2 (0.41) PTGS2PTGS1TSHRCYP3A4PDE4A
SCHEMBL4456792 0.83 CYP3A4 (0.44) RORCPTGS2PTGS1KCNA5CYP3A4
SCHEMBL4458283 0.81 KCNA5 (0.44) PTGS2TSHRKMT2AKCNA5CYP3A4
SCHEMBL4457222 0.80 TAAR1 (0.43) PTGS2KCNA5
SCHEMBL4460584 0.79 TAAR1 (0.44) PTGS2KCNA5
SCHEMBL4461901 0.79 CYP3A4 (0.52) RORCPTGS2PTGS1CYP3A4CYP3A5
SCHEMBL4460448 0.79 CYP3A4 (0.44) PTGS2PTGS1CYP3A4CYP3A5
SCHEMBL4468111 0.77 PTGS2 (0.43) PTGS2PTGS1CYP3A4CYP3A5PDE4A

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 7 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
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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 RORC 3636/4885PTGS2 3086/4885PTGS1 3089/4885

“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.