SCHEMBL830714

SCHEMBL830714

CC(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.42
KMT2A Q03164 4/20 0.42
YWHAH Q04917 1/20 0.41
PPARG P37231 2/20 0.38
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SCN9A Q15858 4/20 0.34
SCN2B O60939 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
ECE1 P42892 1/20 0.34
PARG Q86W56 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL832184 0.90 CYP2C8 (0.40) CYP2C8KMT2AYWHAHMEN1KDM4E
SCHEMBL831577 0.89 CYP2C8 (0.46) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL831347 0.89 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL831554 0.89 CYP2C8 (0.47) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL862351 0.88 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL12665133 0.87 CYP2C8 (0.54) CYP2C8KMT2AYWHAHMEN1KDM4E
SCHEMBL10261596 0.87 PPARG (0.46) CYP2C8KMT2AYWHAHPPARGMEN1
SCHEMBL831693 0.87 CYP2C8 (0.42) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL831415 0.87 PPARG (0.46) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL12665296 0.86 CYP2C8 (0.42) CYP2C8KMT2AYWHAHPPARGMEN1

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 4 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-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

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 CYP2C8 847/4885KMT2A 321/4885YWHAH 101/4885

“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.