SCHEMBL862132

SCHEMBL862132

O=C(NS(=O)(=O)Cc1ccccc1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.44
KMT2A Q03164 6/20 0.42
POLB P06746 2/20 0.38
PTGDR2 Q9Y5Y4 7/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
PLA2G4A P47712 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RCE1 Q9Y256 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
SCHEMBL861967 0.91 CYP2C8 (0.44) CYP2C8KMT2APTGDR2MEN1KDM4E
SCHEMBL832498 0.90 CYP2C8 (0.45) CYP2C8KMT2APTGDR2MEN1HPGD
SCHEMBL831268 0.89 CYP2C8 (0.45) CYP2C8KMT2APTGDR2MEN1KDM4E
SCHEMBL862472 0.88 CYP2C8 (0.43) CYP2C8KMT2APOLBPTGDR2MEN1
SCHEMBL862560 0.88 FLT1 (0.42) CYP2C8KMT2APTGDR2MEN1HPGD
SCHEMBL862166 0.88 CYP2C8 (0.42) CYP2C8KMT2APTGDR2HPGD
SCHEMBL862717 0.87 CYP2C8 (0.42) CYP2C8KMT2APTGDR2MEN1
SCHEMBL862473 0.87 CYP2C8 (0.43) CYP2C8KMT2APTGDR2MEN1KDM4E
SCHEMBL862164 0.87 CYP2C8 (0.42) CYP2C8KMT2APTGDR2MEN1HPGD
SCHEMBL862158 0.86 CYP2C8 (0.41) CYP2C8KMT2APTGDR2MEN1

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 CYP2C8 847/4885KMT2A 321/4885POLB 3788/4885

“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.