SCHEMBL862209

SCHEMBL862209

Cc1ccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.44
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 8/20 0.38
PTGS1 P23219 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
MCL1 Q07820 2/20 0.36
SCN9A Q15858 4/20 0.35
SCN2B O60939 2/20 0.35
SCN1B Q07699 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN1A P35498 1/20 0.35
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CHEK1 O14757 1/20 0.34
CDK1 P06493 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
SCHEMBL831523 0.94 CYP2C8 (0.43) CYP2C8KMT2APTGDR2PTGS1ALDH1A1
SCHEMBL862538 0.94 CYP2C8 (0.44) CYP2C8KMT2APTGDR2PTGS1KDM4E
SCHEMBL831532 0.92 CYP2C8 (0.47) CYP2C8KMT2APTGDR2KDM4EALDH1A1
SCHEMBL862357 0.90 KMT2A (0.44) CYP2C8KMT2APTGDR2PTGS1KDM4E
SCHEMBL862448 0.90 CYP2C8 (0.45) CYP2C8KMT2APTGDR2KDM4EALDH1A1
SCHEMBL862540 0.90 CYP2C8 (0.40) CYP2C8KMT2APTGDR2KDM4EALDH1A1
SCHEMBL10257280 0.89 CYP2C8 (0.48) CYP2C8KMT2APTGDR2KDM4EALDH1A1
SCHEMBL831695 0.89 PPARG (0.41) CYP2C8PTGDR2ALDH1A1SCN9ASCN2B
SCHEMBL831903 0.88 CYP2C8 (0.45) CYP2C8KMT2APTGDR2PTGS1KDM4E
SCHEMBL832199 0.88 CYP2C8 (0.46) CYP2C8KMT2APTGDR2KDM4EALDH1A1

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.