SCHEMBL831523

SCHEMBL831523

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.43
PTGDR2 Q9Y5Y4 9/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
SCN2B O60939 2/20 0.35
SCN1B Q07699 2/20 0.35
SCN9A Q15858 2/20 0.35
SCN1A P35498 1/20 0.35
PTGS1 P23219 2/20 0.35
CYP2C9 P11712 2/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
BRD4 O60885 1/20 0.33
SCN5A Q14524 1/20 0.33
AKR1B1 P15121 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
SCHEMBL862209 0.94 CYP2C8 (0.44) CYP2C8PTGDR2KMT2AALDH1A1SCN2B
SCHEMBL831903 0.94 CYP2C8 (0.45) CYP2C8PTGDR2KMT2AMEN1USP2
SCHEMBL862540 0.94 CYP2C8 (0.40) CYP2C8PTGDR2KMT2AMEN1USP2
SCHEMBL831695 0.93 PPARG (0.41) CYP2C8PTGDR2ALDH1A1PPARGSCN2B
SCHEMBL831952 0.92 PPARG (0.42) CYP2C8PTGDR2PPARGSCN2BSCN1B
SCHEMBL831181 0.90 CYP2C8 (0.43) CYP2C8PTGDR2KMT2AMEN1USP2
SCHEMBL831196 0.90 CYP2C8 (0.43) CYP2C8PTGDR2KMT2AMEN1PPARG
SCHEMBL831577 0.90 CYP2C8 (0.46) CYP2C8PTGDR2KMT2AMEN1ALDH1A1
SCHEMBL831198 0.88 CYP2C8 (0.43) CYP2C8PTGDR2KMT2AMEN1PPARG
SCHEMBL862137 0.88 CYP2C8 (0.40) CYP2C8PTGDR2KMT2AMEN1USP2

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 1609/4885KMT2A 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.