SCHEMBL831577

SCHEMBL831577

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
SCN2B O60939 1/20 0.37
SCN1B Q07699 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
PPARG P37231 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ECE1 P42892 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL833144 0.92 CYP2C8 (0.45) CYP2C8KMT2AMAPTMEN1PTGDR2
SCHEMBL831903 0.92 CYP2C8 (0.45) CYP2C8KMT2AMAPTMEN1SCN2B
SCHEMBL831196 0.92 CYP2C8 (0.43) CYP2C8KMT2AMEN1SCN2BSCN1B
SCHEMBL831198 0.92 CYP2C8 (0.43) CYP2C8KMT2AMEN1SCN2BSCN1B
SCHEMBL831703 0.91 CYP2C8 (0.44) CYP2C8KMT2AMAPTMEN1PTGDR2
SCHEMBL831554 0.91 CYP2C8 (0.47) CYP2C8KMT2AMAPTMEN1PPARG
SCHEMBL831347 0.91 CYP2C8 (0.43) CYP2C8KMT2AMEN1SCN2BSCN1B
SCHEMBL831922 0.90 CYP2C8 (0.42) CYP2C8KMT2AMAPTMEN1SCN2B
SCHEMBL862351 0.90 CYP2C8 (0.43) CYP2C8KMT2AMAPTMEN1SCN2B
SCHEMBL831181 0.90 CYP2C8 (0.43) CYP2C8KMT2AMEN1SCN2BSCN1B

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 5 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

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 321/4885MAPT 1047/4885

“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.