SCHEMBL862139

SCHEMBL862139

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1CC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.35
CYP2C8 P10632 1/20 0.35
SCN7A Q01118 5/20 0.35
SCN5A Q14524 5/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NR3C1 P04150 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
WEE1 P30291 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL862326 0.94 CYP2C8 (0.38) CYP2C8SCN7ASCN5AALDH1A1KDM4E
SCHEMBL10256117 0.91 SCN9A (0.39) CYP2C8SCN5AALDH1A1KDM4ECYP1A2
SCHEMBL862363 0.91 KMT2A (0.34) CYP2C8SCN7ASCN5AALDH1A1KDM4E
SCHEMBL10256960 0.91 CHRM1 (0.37) CYP2C8ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL10255118 0.86 SCN9A (0.40) CYP2C8ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL12890345 0.85 SCN9A (0.33) CYP2C8SCN7ASCN5AALDH1A1KDM4E
SCHEMBL831565 0.84 ALDH1A1 (0.40) CYP2C8SCN5AALDH1A1KDM4ECYP1A2
SCHEMBL862037 0.83 KMT2A (0.44) MAPK8CYP2C8ALDH1A1KDM4ECYP1A2
SCHEMBL831574 0.83 KDM4E (0.41) CYP2C8SCN5AALDH1A1KDM4ECYP1A2
SCHEMBL862067 0.82 KMT2A (0.50) MAPK8CYP2C8ALDH1A1KDM4ECYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPK8 4136/4885CYP2C8 847/4885SCN7A 3535/4885

“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.