SCHEMBL862181

SCHEMBL862181

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.46
CYP2C8 P10632 1/20 0.43
KMT2A Q03164 2/20 0.38
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
SCN9A Q15858 4/20 0.37
MCL1 Q07820 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
WEE1 P30291 1/20 0.36
TP53 P04637 1/20 0.36
SCN2B O60939 1/20 0.35
SCN1A P35498 1/20 0.35
SCN1B Q07699 1/20 0.35
SCN5A Q14524 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
SCHEMBL862425 0.96 PTGDR2 (0.42) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL862440 0.92 CYP2C8 (0.42) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL10256856 0.92 CYP2C8 (0.46) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL831554 0.92 CYP2C8 (0.47) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL832199 0.91 CYP2C8 (0.46) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL10257280 0.91 CYP2C8 (0.48) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL862037 0.90 KMT2A (0.44) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL862622 0.90 CYP2C8 (0.42) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL862350 0.90 CYP2C8 (0.45) PTGDR2CYP2C8KMT2APPARGKDM4E
SCHEMBL862140 0.90 KMT2A (0.47) PTGDR2CYP2C8KMT2APPARGKDM4E

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

“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.