SCHEMBL832543

SCHEMBL832543

CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)CS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
SERPINE1 P05121 1/20 0.32
KMT2A Q03164 1/20 0.32
DNMT1 P26358 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
MDM2 Q00987 1/20 0.30
NOX4 Q9NPH5 1/20 0.30

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
SCHEMBL833251 0.89 CYP2C8 (0.36) CYP2C8SERPINE1KMT2ADNMT1SIGMAR1
SCHEMBL832113 0.85 CYP2C8 (0.38) CYP2C8SERPINE1KMT2ADNMT1MDM2
SCHEMBL12665817 0.83 CYP2C8 (0.40) CYP2C8KMT2ANOX4
SCHEMBL831906 0.83 SCN9A (0.38) CYP2C8KMT2A
SCHEMBL12665395 0.81 CYP2C8 (0.46) CYP2C8SERPINE1KMT2ANOX4
SCHEMBL831390 0.80 CYP2C8 (0.39) CYP2C8KMT2A
SCHEMBL832000 0.80 CYP2C8 (0.38) CYP2C8SERPINE1KMT2ADNMT1
SCHEMBL12665807 0.79 CYP2C8 (0.43) CYP2C8KMT2ANOX4
SCHEMBL831480 0.79 CYP2C8 (0.39) CYP2C8KMT2A
SCHEMBL832072 0.79 CYP2C8 (0.36) CYP2C8KMT2A

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 CYP2C8 847/4885SERPINE1 3846/4885KMT2A 321/4885

“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.