SCHEMBL829937

SCHEMBL829937

COc1ncccc1-c1c(C(=O)NS(C)(=O)=O)n(CC2CCCN(S(C)(=O)=O)C2)c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.38
MCL1 Q07820 1/20 0.36
KRAS P01116 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL829149 0.88 SCN9A (0.49) SCN9AKAT8
SCHEMBL862363 0.83 KMT2A (0.34) SCN9AKRASSCN7ASCN5AKAT8
SCHEMBL832178 0.79 MAPK8 (0.39) KRASFPR1FPR2PTGDR2
SCHEMBL832733 0.76 PLA2G2A (0.40) KRASFPR1FPR2PTGDR2
SCHEMBL388312 0.74 FNTA (0.44) SCN9AKRAS
SCHEMBL862139 0.74 MAPK8 (0.35) SCN9ASCN7ASCN5APTGDR2
SCHEMBL829936 0.73 PCSK9 (0.39) SCN9AFPR1FPR2SCN5A
SCHEMBL10256117 0.73 SCN9A (0.39) SCN9ASCN5APTGDR2
SCHEMBL862326 0.72 CYP2C8 (0.38) SCN9AKRASSCN7ASCN5APTGDR2
SCHEMBL10255118 0.70 SCN9A (0.40) SCN9A

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
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 SCN9A 3807/4885MCL1 872/4885KRAS 3644/4885

“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.