SCHEMBL831476

SCHEMBL831476

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.36
KMT2A Q03164 4/20 0.35
EDNRB P24530 1/20 0.33
MEN1 O00255 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AGTR1 P30556 2/20 0.32
AGTR2 P50052 2/20 0.32
PPARG P37231 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGDR Q13258 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
TP53 P04637 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
SCHEMBL830785 0.92 CYP2C8 (0.42) CYP2C8PTGDR2KMT2AEDNRBMEN1
SCHEMBL862182 0.92 CYP2C8 (0.40) CYP2C8PTGDR2KMT2AEDNRBMEN1
SCHEMBL831814 0.92 CYP2C8 (0.40) CYP2C8PTGDR2KMT2AEDNRBMEN1
SCHEMBL832181 0.91 CYP2C8 (0.38) CYP2C8KMT2AMEN1AGTR1AGTR2
SCHEMBL832522 0.91 PPARG (0.38) CYP2C8KMT2AHDAC1HDAC8HDAC6
SCHEMBL831233 0.91 CYP2C8 (0.42) CYP2C8PTGDR2KMT2AMEN1CYP2C9
SCHEMBL831710 0.88 CYP2C8 (0.43) CYP2C8PTGDR2KMT2AMEN1CYP2C9
SCHEMBL831683 0.88 CYP2C8 (0.38) CYP2C8PTGDR2KMT2AEDNRBMEN1
SCHEMBL831033 0.86 CYP2C8 (0.41) CYP2C8KMT2AEDNRBMEN1AGTR1
SCHEMBL831665 0.86 CYP2C8 (0.37) CYP2C8PTGDR2KMT2ACYP2C9PTGDR

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 847/4885PTGDR2 1609/4885KMT2A 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.