SCHEMBL831856

SCHEMBL831856

Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
TP53 P04637 5/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TRPM4 Q8TD43 1/20 0.36
DPP4 P27487 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
PLA2G1B P04054 1/20 0.34
PKM P14618 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PARG Q86W56 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
SCHEMBL831027 0.92 PTGER3 (0.36) TP53RXFP1TRPM4DPP4L3MBTL1
SCHEMBL831919 0.88 TP53 (0.38) OPRM1TP53RXFP1PTGDR2L3MBTL1
SCHEMBL832279 0.86 PTGDR2 (0.36) RXFP1PTGDR2ALDH1A1
SCHEMBL831314 0.86 SCN9A (0.36) PTGDR2AURKATPX2
SCHEMBL832157 0.83 KMT2A (0.38) TP53PTGDR2MEN1KMT2APARG
SCHEMBL832091 0.83 MOGAT2 (0.35) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL830779 0.82 CYP2C8 (0.41) PTGDR2ALDH1A1MEN1KMT2AAURKA
SCHEMBL831747 0.81 PTGER3 (0.38) TP53RXFP1L3MBTL1ALDH1A1MEN1
SCHEMBL831674 0.81 CYP2C8 (0.43) RXFP1PTGDR2L3MBTL1ALDH1A1MEN1
SCHEMBL13905325 0.80 AURKA (0.37) TP53RXFP1TRPM4PTGDR2MEN1

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 OPRM1 2504/4885TP53 789/4885RXFP1 2929/4885

“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.