SCHEMBL862159

SCHEMBL862159

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(F)ccc2n1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
CYP2C8 P10632 1/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.37
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.34
PARG Q86W56 1/20 0.34

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
SCHEMBL831763 0.94 CYP2C8 (0.40) KMT2ACYP2C8PTGDR2SCN2BSCN1A
SCHEMBL831674 0.92 CYP2C8 (0.43) KMT2ACYP2C8PTGDR2ALDH1A1MAPT
SCHEMBL831406 0.92 CYP2C8 (0.43) KMT2ACYP2C8PTGDR2ALDH1A1MAPT
SCHEMBL831822 0.92 CYP2C8 (0.45) KMT2ACYP2C8MCHR1ALDH1A1SCN5A
SCHEMBL832077 0.91 KMT2A (0.38) KMT2ACYP2C8PTGDR2MCHR1ALDH1A1
SCHEMBL831751 0.91 CYP2C8 (0.41) KMT2ACYP2C8PTGDR2ALDH1A1MAPT
SCHEMBL831050 0.91 SCN9A (0.41) KMT2ACYP2C8SCN2BSCN1ASCN1B
SCHEMBL832184 0.90 CYP2C8 (0.40) KMT2ACYP2C8ALDH1A1SCN2BSCN1A
SCHEMBL831968 0.90 CYP2C8 (0.40) KMT2ACYP2C8SCN5ASCN9AMEN1
SCHEMBL10257265 0.90 CYP2C8 (0.41) KMT2ACYP2C8PTGDR2MAPTSCN2B

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 2 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-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 KMT2A 321/4885CYP2C8 847/4885PTGDR2 1609/4885

“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.