SCHEMBL832852

SCHEMBL832852

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c(F)cc(F)cc2n1Cc1cc2ccccc2nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.55
KMT2A Q03164 7/20 0.36
MEN1 O00255 2/20 0.34
FAAH O00519 1/20 0.33
RCE1 Q9Y256 1/20 0.32
SCN9A Q15858 2/20 0.32
AKR1B10 O60218 1/20 0.31
AKR1A1 P14550 1/20 0.31
AKR1B1 P15121 1/20 0.31
TRPM4 Q8TD43 1/20 0.30
AURKA O14965 1/20 0.30
TPX2 Q9ULW0 1/20 0.30
PIK3CG P48736 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
SCHEMBL13395354 0.88 CYP2C8 (0.53) CYP2C8KMT2AFAAH
SCHEMBL13395349 0.88 CYP2C8 (0.54) CYP2C8KMT2AFAAH
SCHEMBL831646 0.87 CYP2C8 (0.74) CYP2C8KMT2AMEN1FAAHRCE1
SCHEMBL862278 0.87 CYP2C8 (0.64) CYP2C8KMT2AMEN1FAAHRCE1
SCHEMBL832872 0.86 CYP2C8 (0.60) CYP2C8KMT2AMEN1FAAHRCE1
SCHEMBL831122 0.85 CYP2C8 (0.59) CYP2C8KMT2AMEN1FAAHRCE1
SCHEMBL13906213 0.85 CYP2C8 (0.73) CYP2C8KMT2AMEN1FAAHRCE1
SCHEMBL831648 0.85 CYP2C8 (0.56) CYP2C8KMT2AFAAHRCE1SCN9A
SCHEMBL831650 0.85 CYP2C8 (0.65) CYP2C8KMT2AMEN1FAAHRCE1
SCHEMBL13395329 0.85 CYP2C8 (0.48) CYP2C8KMT2AFAAHRCE1

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 6 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-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
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 CYP2C8 847/4885KMT2A 321/4885MEN1 2084/4885

“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.