SCHEMBL832113

SCHEMBL832113

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
SERPINE1 P05121 2/20 0.35
PPARG P37231 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
DNMT1 P26358 3/20 0.33
CYP3A4 P08684 1/20 0.32
MDM2 Q00987 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOX4 Q9NPH5 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CCR9 P51686 1/20 0.31

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 0.91 CYP2C8 (0.36) CYP2C8SERPINE1KMT2AMEN1MAPT
SCHEMBL831753 0.90 CYP2C8 (0.41) CYP2C8PPARGKMT2AMEN1MAPT
SCHEMBL831502 0.90 CYP2C8 (0.40) CYP2C8SERPINE1PPARGKMT2ADNMT1
SCHEMBL832281 0.89 CYP2C8 (0.38) CYP2C8PPARGKMT2AMEN1MAPT
SCHEMBL831693 0.89 CYP2C8 (0.42) CYP2C8SERPINE1PPARGKMT2AMEN1
SCHEMBL831319 0.86 CYP2C8 (0.40) CYP2C8SERPINE1PPARGKMT2ADNMT1
SCHEMBL832543 0.85 CYP2C8 (0.38) CYP2C8SERPINE1KMT2ADNMT1MDM2
SCHEMBL12665817 0.85 CYP2C8 (0.40) CYP2C8KMT2AMEN1MAPTCYP3A4
SCHEMBL831906 0.84 SCN9A (0.38) CYP2C8PPARGKMT2ASCN5ASCN9A
SCHEMBL832029 0.84 PPARG (0.43) CYP2C8PPARGSCN5ASCN9A

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 3846/4885PPARG 4093/4885

“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.