SCHEMBL831919

SCHEMBL831919

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 1/20 0.34
PLA2G2A P14555 1/20 0.34
AKR1B1 P15121 1/20 0.34
OPRM1 P35372 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL831856 0.88 OPRM1 (0.38) TP53RXFP1PTGDR2L3MBTL1MEN1
SCHEMBL832286 0.86 PTGDR2 (0.37) TP53RXFP1PTGDR2MEN1ALDH1A1
SCHEMBL832284 0.86 PTGDR2 (0.34) RXFP1PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL831842 0.83 KMT2A (0.39) TP53PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL831747 0.82 PTGER3 (0.38) TP53RXFP1L3MBTL1MEN1ALDH1A1
SCHEMBL831703 0.80 CYP2C8 (0.44) TP53RXFP1PTGDR2MEN1ALDH1A1
SCHEMBL831027 0.79 PTGER3 (0.36) TP53RXFP1L3MBTL1MEN1ALDH1A1
SCHEMBL831233 0.76 CYP2C8 (0.42) RXFP1PTGDR2MEN1KMT2A
SCHEMBL13906208 0.75 KMT2A (0.47) RXFP1PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL830899 0.75 CYP2C8 (0.45) TP53PTGDR2MEN1ALDH1A1KMT2A

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 TP53 789/4885RXFP1 2929/4885PTGDR2 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.