SCHEMBL829588

SCHEMBL829588

CCc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)NS(=O)(=O)c1cccc(N)c1)n2Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
ADAM17 P78536 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
YWHAH Q04917 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
LMNA P02545 1/20 0.34
PARG Q86W56 1/20 0.34
KAT6A Q92794 1/20 0.34
SCN9A Q15858 1/20 0.33
EDNRB P24530 1/20 0.33
TP53 P04637 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 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
SCHEMBL829348 0.90 PPARG (0.42) PPARGMEN1KMT2AYWHAHPTGDR2
SCHEMBL829604 0.82 KMT2A (0.43) MEN1KMT2AYWHAHLMNAEDNRB
SCHEMBL831536 0.82 PPARG (0.40) PPARGADAM17MEN1KMT2APTGDR2
SCHEMBL830573 0.81 KMT2A (0.51) MEN1KMT2AYWHAHLMNAEDNRB
SCHEMBL831414 0.80 PPARG (0.42) PPARGADAM17MEN1KMT2APTGDR2
SCHEMBL862510 0.80 KMT2A (0.40) ADAM17MEN1KMT2AYWHAHPTGDR2
SCHEMBL862534 0.79 LMNA (0.38) PPARGADAM17MEN1KMT2AYWHAH
SCHEMBL829913 0.78 PPARG (0.42) PPARGMEN1KMT2APTGDR2LMNA
SCHEMBL829942 0.78 EDNRB (0.37) PPARGPTGDR2SCN9AEDNRBTP53
SCHEMBL8860038 0.77 PPARG (0.44) PPARGMEN1KMT2AYWHAHLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
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
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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 4093/4885ADAM17 2614/4885MEN1 2084/4885

“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.