SCHEMBL862436

SCHEMBL862436

CN(C)S(=O)(=O)NCc1ccccc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
KMT2A Q03164 2/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
KRAS P01116 3/20 0.34
CHEK1 O14757 1/20 0.34
CDK1 P06493 1/20 0.34
WEE1 P30291 1/20 0.34
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
BCL2 P10415 1/20 0.33
BAK1 Q16611 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.32
RCE1 Q9Y256 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
SCHEMBL10255740 0.93 CYP2C8 (0.43) CYP2C8KMT2APTGDR2KRASCHEK1
SCHEMBL862276 0.92 KMT2A (0.39) CYP2C8KMT2APTGDR2CHEK1CDK1
SCHEMBL10255734 0.90 KMT2A (0.39) CYP2C8KMT2APTGDR2AURKATPX2
SCHEMBL862051 0.88 CYP2C8 (0.43) CYP2C8KMT2APTGDR2LOXL2KRAS
SCHEMBL830780 0.88 CYP2C8 (0.44) CYP2C8KMT2APTGDR2KRASCHEK1
SCHEMBL831532 0.87 CYP2C8 (0.47) CYP2C8KMT2APTGDR2KRASCHEK1
SCHEMBL831554 0.87 CYP2C8 (0.47) CYP2C8KMT2APTGDR2CHEK1CDK1
SCHEMBL10255371 0.87 CYP2C8 (0.43) CYP2C8KMT2APTGDR2KRASCHEK1
SCHEMBL831592 0.87 CYP2C8 (0.43) CYP2C8KMT2APTGDR2KRASCHEK1
SCHEMBL832199 0.86 CYP2C8 (0.46) CYP2C8KMT2APTGDR2CHEK1CDK1

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 321/4885PTGDR2 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.