SCHEMBL831458

SCHEMBL831458

COc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(N)c2)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
PPARG P37231 3/20 0.35
CYP2C8 P10632 1/20 0.35
MCL1 Q07820 3/20 0.35
PTPRG P23470 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
SERPINE1 P05121 2/20 0.33
MAPK8 P45983 1/20 0.33
NLRP3 Q96P20 1/20 0.33
LMNA P02545 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
SCHEMBL832357 0.95 FLT1 (0.36) KMT2AFLT1FLT4KDRPPARG
SCHEMBL832270 0.92 PPARG (0.38) KMT2AFLT1FLT4KDRPPARG
SCHEMBL831806 0.90 PPARG (0.45) KMT2AFLT1FLT4KDRPPARG
SCHEMBL831130 0.89 KMT2A (0.39) KMT2AFLT1FLT4KDRPPARG
SCHEMBL832375 0.88 KMT2A (0.42) KMT2AFLT1FLT4KDRPPARG
SCHEMBL832261 0.88 FLT1 (0.41) KMT2AFLT1FLT4KDRPPARG
SCHEMBL832230 0.88 KMT2A (0.39) KMT2AFLT1FLT4KDRPPARG
SCHEMBL832479 0.88 KMT2A (0.38) KMT2AFLT1FLT4KDRPPARG
SCHEMBL832334 0.87 ALPL (0.39) KMT2APPARGPTGDR2LMNA
SCHEMBL831140 0.87 KMT2A (0.38) KMT2AFLT1FLT4KDRPPARG

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 KMT2A 321/4885FLT1 3635/4885FLT4 2781/4885

“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.