SCHEMBL862746

SCHEMBL862746

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(NC(=O)NC(C)(C)C)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.35
AGTR2 P50052 6/20 0.35
CYP2C8 P10632 1/20 0.35
ACKR3 P25106 3/20 0.33
MAPT P10636 3/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
RORC P51449 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
LCK P06239 1/20 0.30
CSK P41240 1/20 0.30
ZAP70 P43403 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
LMNA P02545 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
SCHEMBL10255747 0.91 CYP2C8 (0.36) AGTR1AGTR2CYP2C8ACKR3MAPT
SCHEMBL10264023 0.91 CYP2C8 (0.36) AGTR1AGTR2CYP2C8MAPTTP53
SCHEMBL831551 0.88 SCN9A (0.40) CYP2C8SCN5ASCN9A
SCHEMBL831683 0.88 CYP2C8 (0.38) CYP2C8SCN5ASCN9A
SCHEMBL832356 0.87 CYP2C8 (0.40) AGTR1AGTR2CYP2C8SCN5ASCN9A
SCHEMBL832400 0.87 CYP2C8 (0.35) CYP2C8MAPTTP53SCN5ASCN9A
SCHEMBL831751 0.86 CYP2C8 (0.41) AGTR1AGTR2CYP2C8MAPTTP53
SCHEMBL831639 0.86 CYP2C8 (0.37) CYP2C8TP53RORCSCN5ASCN9A
SCHEMBL831325 0.85 CYP2C8 (0.37) CYP2C8MAPTTP53SCN5ASCN9A
SCHEMBL831983 0.85 CYP2C8 (0.37) CYP2C8SCN5ASCN9A

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 AGTR1 1013/4885AGTR2 350/4885CYP2C8 847/4885

“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.