SCHEMBL829936

SCHEMBL829936

COc1ncccc1-c1c(C(=O)NS(C)(=O)=O)n(C(C2CCCNC2)S(C)(=O)=O)c2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.39
SCN9A Q15858 16/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
SCN5A Q14524 3/20 0.34
ACP1 P24666 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
SCHEMBL829209 0.77 ACP1 (0.34) PCSK9FPR1FPR2ACP1
SCHEMBL388313 0.74 PCSK9 (0.37) PCSK9FPR1FPR2ACP1
SCHEMBL829937 0.73 SCN9A (0.38) SCN9AFPR1FPR2SCN5A
SCHEMBL829149 0.70 SCN9A (0.49) SCN9A
SCHEMBL10255118 0.67 SCN9A (0.40) PCSK9SCN9A
SCHEMBL832178 0.66 MAPK8 (0.39) FPR1FPR2
SCHEMBL14802301 0.66 SCN9A (0.42) SCN9ASCN5A
SCHEMBL862452 0.65 SCN9A (0.42) SCN9ASCN5A
SCHEMBL20534320 0.64 SCN9A (0.46) SCN9A
SCHEMBL20534742 0.64 SCN9A (0.57) 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 5 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-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 PCSK9 1803/4885SCN9A 3807/4885FPR1 1411/4885

“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.