SCHEMBL832758

SCHEMBL832758

CS(=O)(=O)Nc1cccc(CS(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.37
KMT2A Q03164 4/20 0.36
ECE1 P42892 1/20 0.36
MAPT P10636 5/20 0.36
TP53 P04637 2/20 0.36
RCE1 Q9Y256 1/20 0.35
PPARG P37231 1/20 0.35
MEN1 O00255 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
TDP2 O95551 1/20 0.33

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
SCHEMBL862574 0.90 CYP2C8 (0.41) CYP2C8PTGDR2KMT2AECE1MAPT
SCHEMBL832763 0.89 CYP2C8 (0.42) CYP2C8PTGDR2KMT2AMAPT
SCHEMBL862541 0.88 KMT2A (0.42) CYP2C8PTGDR2KMT2ARCE1PPARG
SCHEMBL831554 0.88 CYP2C8 (0.47) CYP2C8PTGDR2KMT2AMAPTTP53
SCHEMBL831655 0.87 CYP2C8 (0.46) CYP2C8PTGDR2KMT2AMAPTTP53
SCHEMBL862344 0.86 CYP2C8 (0.43) CYP2C8PTGDR2KMT2AMAPTPPARG
SCHEMBL862352 0.86 CYP2C8 (0.41) CYP2C8PTGDR2KMT2AECE1MAPT
SCHEMBL862747 0.86 CYP2C8 (0.44) CYP2C8PTGDR2KMT2AECE1MAPT
SCHEMBL832601 0.85 CYP2C8 (0.43) CYP2C8PTGDR2KMT2AMAPTTP53
SCHEMBL862296 0.84 PPARG (0.41) CYP2C8PTGDR2KMT2ARCE1PPARG

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 4 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-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
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 847/4885PTGDR2 1609/4885KMT2A 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.