SCHEMBL862137

SCHEMBL862137

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
PTGDR2 Q9Y5Y4 9/20 0.34
PPARG P37231 1/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
PTGS1 P23219 2/20 0.31
CYP2C9 P11712 2/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS2 P35354 1/20 0.31
SCN2B O60939 1/20 0.31
SCN1A P35498 1/20 0.31
SCN1B Q07699 1/20 0.31
SCN9A Q15858 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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 0.88 CYP2C8 (0.43) CYP2C8PTGDR2PPARGKMT2AALDH1A1
SCHEMBL831903 0.87 CYP2C8 (0.45) CYP2C8PTGDR2PPARGKMT2AALDH1A1
SCHEMBL831577 0.87 CYP2C8 (0.46) CYP2C8PTGDR2PPARGKMT2AALDH1A1
SCHEMBL831181 0.85 CYP2C8 (0.43) CYP2C8PTGDR2PPARGKMT2AALDH1A1
SCHEMBL831196 0.85 CYP2C8 (0.43) CYP2C8PTGDR2PPARGKMT2AMEN1
SCHEMBL831198 0.85 CYP2C8 (0.43) CYP2C8PTGDR2PPARGKMT2AMEN1
SCHEMBL831922 0.84 CYP2C8 (0.42) CYP2C8PTGDR2PPARGKMT2AALDH1A1
SCHEMBL831364 0.83 CYP2C8 (0.45) CYP2C8PTGDR2PPARGKMT2AALDH1A1
SCHEMBL862209 0.83 CYP2C8 (0.44) CYP2C8PTGDR2KMT2AALDH1A1HPGD
SCHEMBL862538 0.83 CYP2C8 (0.44) CYP2C8PTGDR2KMT2AALDH1A1HPGD

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 847/4885PTGDR2 1609/4885PPARG 4093/4885

“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.