SCHEMBL832720

SCHEMBL832720

Cc1ccc([S@+]([O-])NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(C)ccc3n2Cc2cc3ccccc3nc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.60
KMT2A Q03164 8/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
RCE1 Q9Y256 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
FAAH O00519 1/20 0.32
PTGS1 P23219 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL8860438 0.93 CYP2C8 (0.51) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL10255460 0.87 CYP2C8 (0.44) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL12665812 0.86 CYP2C8 (0.69) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL13906259 0.86 CYP2C8 (0.79) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL832169 0.84 CYP2C8 (0.61) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL831122 0.82 CYP2C8 (0.59) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL832443 0.81 CYP2C8 (0.76) CYP2C8KMT2ARCE1MEN1ALDH1A1
SCHEMBL862334 0.79 CYP2C8 (0.72) CYP2C8KMT2ARCE1MEN1ALDH1A1
SCHEMBL832115 0.79 CYP2C8 (0.62) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL12665831 0.77 CYP2C8 (0.78) CYP2C8KMT2APTGDR2RCE1MEN1

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 5 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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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.