Sugi Predict

Sugi Predict / Compounds / SCHEMBL829208

SCHEMBL829208

SCHEMBL829208

COc1ncccc1-c1c(C(=O)O)n(CC2CCCN(C(=O)OC(C)(C)C)C2)c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.46
▸ FNTB P49356 3/20 0.46
▸ FEN1 P39748 3/20 0.43
▸ ALOX5AP P20292 2/20 0.43
▸ HTR6 P50406 3/20 0.38
▸ BCHE P06276 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ KAT7 O95251 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL388312 0.92 FNTA (0.44) FNTAFNTBFEN1ALOX5APHTR6
SCHEMBL829149 0.90 SCN9A (0.49) FNTAFNTBFEN1ALOX5APHTR6
SCHEMBL14334949 0.68 ALOX5AP (0.55) FNTAFNTBFEN1ALOX5APSCN9A
SCHEMBL27158239 0.68 POLB (0.52) FNTAFNTBFEN1ALOX5APHTR6
SCHEMBL30785411 0.68 POLB (0.52) FNTAFNTBFEN1ALOX5APHTR6
SCHEMBL5794800 0.68 CYP2D6 (0.60) FEN1
SCHEMBL21607886 0.68 ALOX5AP (0.52) FEN1ALOX5APJAK2JAK3PTK2
SCHEMBL4515668 0.67 SCN9A (0.54) FNTAFNTBFEN1ALOX5APHTR6
SCHEMBL30785423 0.67 FEN1 (0.49) FNTAFNTBFEN1ALOX5APHTR6
SCHEMBL27158111 0.67 FEN1 (0.49) FNTAFNTBFEN1ALOX5APHTR6

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 8 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-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 — — 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 (2 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 FNTA 3144/4885FNTB 4719/4885FEN1 2381/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT FNTA 2632/4885FNTB 4387/4885FEN1 1469/4885

“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.