SCHEMBL4459549

SCHEMBL4459549

CS(=O)(=O)c1cccc(N(c2cccc(C(F)(F)F)c2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
RORC P51449 1/20 0.43
KCNA5 P22460 3/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 1/20 0.42
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
POLQ O75417 1/20 0.39
KIF11 P52732 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KCNH2 Q12809 1/20 0.39
NAMPT P43490 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4459544 0.92 RORC (0.47) TSHRKMT2ARORCKCNA5PTGS2
SCHEMBL4460584 0.87 TAAR1 (0.44) KCNA5PTGS2TAAR1NAMPT
SCHEMBL4462676 0.87 PTGS2 (0.41) TSHRPTGS2PTGS1CYP3A4TAAR1
SCHEMBL4457222 0.86 TAAR1 (0.43) KCNA5PTGS2TAAR1NAMPTALDH1A1
SCHEMBL4458283 0.84 KCNA5 (0.44) TSHRKMT2AKCNA5PTGS2CYP3A4
SCHEMBL4472149 0.84 TAAR1 (0.41) KCNA5PTGS2TAAR1NAMPTALDH1A1
SCHEMBL4460408 0.83 NFE2L2 (0.42) RORCKCNA5PTGS2PTGS1CYP3A4
SCHEMBL4472842 0.82 TAAR1 (0.40) KCNA5PTGS2PTGS1CYP3A4TAAR1
SCHEMBL4464155 0.82 TAAR1 (0.40) RORCKCNA5PTGS2PTGS1CYP3A4
SCHEMBL4460448 0.82 CYP3A4 (0.44) PTGS2PTGS1CYP3A4CYP3A5TAAR1

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
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 TSHR 2235/4885KMT2A 130/4885RORC 3636/4885

“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.