SCHEMBL832300

SCHEMBL832300

COc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Br)ccc3n2Cc2ccnc(N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
FBP1 P09467 1/20 0.36
MAPK8 P45983 5/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
SERPINE1 P05121 1/20 0.35
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MCL1 Q07820 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
SCHEMBL831806 0.92 PPARG (0.45) PPARGFBP1EGFRERBB2SERPINE1
SCHEMBL10255430 0.92 PPARG (0.38) PPARGMAPK8PTGESALOX5SERPINE1
SCHEMBL862701 0.91 PPARG (0.48) PPARGFBP1SERPINE1MMP13
SCHEMBL862244 0.90 PPARG (0.43) PPARGFBP1SERPINE1MCL1
SCHEMBL862469 0.88 PPARG (0.36) PPARGPIK3R1PIK3CAMAPK8MAPK9
SCHEMBL862306 0.86 CYP2C8 (0.34) PPARGPIK3R1PIK3CAMAPK8SERPINE1
SCHEMBL832261 0.85 FLT1 (0.41) PPARGMAPK8PTGESALOX5SERPINE1
SCHEMBL10257291 0.84 SERPINE1 (0.46) PPARGSERPINE1MCL1
SCHEMBL831130 0.84 KMT2A (0.39) PPARGEGFRPTGESALOX5SERPINE1
SCHEMBL832479 0.84 KMT2A (0.38) PPARGEGFRSERPINE1MCL1

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 PPARG 4093/4885PIK3R1 4764/4885PIK3CA 4484/4885

“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.