SCHEMBL831486

SCHEMBL831486

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C(C)C)n(Cc3ccccc3F)c2cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.47
KMT2A Q03164 4/20 0.41
EPHX2 P34913 1/20 0.36
GNRHR P30968 5/20 0.35
ECE1 P42892 1/20 0.34
MEN1 O00255 2/20 0.33
YWHAH Q04917 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 2/20 0.32
THRB P10828 1/20 0.32
PSMD14 O00487 1/20 0.32
POLB P06746 1/20 0.32
DNMT1 P26358 1/20 0.32
APOBEC3A P31941 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL832104 0.93 CYP2C8 (0.44) CYP2C8KMT2AGNRHRMEN1PPARG
SCHEMBL831531 0.92 CYP2C8 (0.48) CYP2C8KMT2AEPHX2GNRHRECE1
SCHEMBL831123 0.88 CYP2C8 (0.46) CYP2C8KMT2AEPHX2GNRHRMEN1
SCHEMBL831703 0.87 CYP2C8 (0.44) CYP2C8KMT2AECE1MEN1KDM4E
SCHEMBL831710 0.86 CYP2C8 (0.43) CYP2C8KMT2AECE1MEN1KDM4E
SCHEMBL12673695 0.86 CYP2C8 (0.61) CYP2C8KMT2AEPHX2GNRHRMEN1
SCHEMBL830899 0.85 CYP2C8 (0.45) CYP2C8KMT2AMEN1KDM4EALDH1A1
SCHEMBL830785 0.84 CYP2C8 (0.42) CYP2C8KMT2AECE1MEN1YWHAH
SCHEMBL831202 0.83 CYP2C8 (0.57) CYP2C8KMT2AECE1MEN1KDM4E
SCHEMBL831116 0.81 CYP2C8 (0.49) CYP2C8KMT2AMEN1PPARG

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 321/4885EPHX2 3119/4885

“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.