SCHEMBL832872

SCHEMBL832872

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)c(F)cc2n1Cc1cc2ccccc2nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.60
KMT2A Q03164 5/20 0.35
RBP4 P02753 1/20 0.33
SCN9A Q15858 4/20 0.32
SCN5A Q14524 3/20 0.32
FAAH O00519 1/20 0.32
RCE1 Q9Y256 1/20 0.31
MEN1 O00255 1/20 0.31
TRPM4 Q8TD43 1/20 0.31
SCN2B O60939 1/20 0.31
SCN1A P35498 1/20 0.31
SCN1B Q07699 1/20 0.31
AURKA O14965 1/20 0.30
TPX2 Q9ULW0 1/20 0.30
NR1D1 P20393 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
MGAT2 Q10469 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
SCHEMBL862278 0.91 CYP2C8 (0.64) CYP2C8KMT2ASCN9ASCN5AFAAH
SCHEMBL831646 0.91 CYP2C8 (0.74) CYP2C8KMT2ASCN9ASCN5AFAAH
SCHEMBL832847 0.91 CYP2C8 (0.65) CYP2C8KMT2ASCN9AFAAHRCE1
SCHEMBL831648 0.90 CYP2C8 (0.56) CYP2C8KMT2ASCN9ASCN5AFAAH
SCHEMBL831992 0.89 CYP2C8 (0.63) CYP2C8KMT2AFAAHRCE1MEN1
SCHEMBL831650 0.87 CYP2C8 (0.65) CYP2C8KMT2ASCN9ASCN5AFAAH
SCHEMBL831122 0.86 CYP2C8 (0.59) CYP2C8KMT2ASCN9AFAAHRCE1
SCHEMBL832852 0.86 CYP2C8 (0.55) CYP2C8KMT2ASCN9AFAAHRCE1
SCHEMBL831547 0.85 CYP2C8 (0.56) CYP2C8KMT2AFAAHRCE1MEN1
SCHEMBL13395349 0.85 CYP2C8 (0.54) CYP2C8KMT2AFAAH

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 321/4885RBP4 3073/4885

“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.