SCHEMBL829209

SCHEMBL829209

COc1ncccc1-c1c(C(=O)O)n(C(C(=O)OC(C)(C)C)C2CCCNC2)c2ccc(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
MDM2 Q00987 4/20 0.32
TP53 P04637 3/20 0.32
PCSK9 Q8NBP7 1/20 0.32
HTR6 P50406 3/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PTGS2 P35354 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
KRAS P01116 1/20 0.30

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
SCHEMBL388313 0.92 PCSK9 (0.37) ACP1FPR1FPR2MDM2TP53
SCHEMBL829936 0.77 PCSK9 (0.39) ACP1FPR1FPR2PCSK9
SCHEMBL829208 0.71 FNTA (0.46) HTR6FNTAFNTBALOX5APFEN1
SCHEMBL832178 0.71 MAPK8 (0.39) FPR1FPR2FFAR4KRAS
SCHEMBL830670 0.67 CCR2 (0.40)
SCHEMBL388312 0.67 FNTA (0.44) TP53HTR6FNTAFNTBALOX5AP
SCHEMBL832733 0.66 PLA2G2A (0.40) FPR1FPR2PTGS2GABRA1GABRG2
SCHEMBL832301 0.65 PTGDR2 (0.42)
SCHEMBL831263 0.62 MKNK2 (0.46)
SCHEMBL12665412 0.62 SERPINE1 (0.44) TP53

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 5 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-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 ACP1 4853/4885FPR1 1411/4885FPR2 622/4885

“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.