Sugi Predict

Sugi Predict / Compounds / SCHEMBL830067

SCHEMBL830067

SCHEMBL830067

COc1ncccc1-c1c(C(=O)O)n(Cc2ccccc2F)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.41
▸ YWHAH Q04917 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ GPBAR1 Q8TDU6 3/20 0.39
▸ SERPINE1 P05121 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAT2A P31153 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CYP2C8 P10632 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
SCHEMBL3693959 0.92 GRIN1 (0.42) GRIN1GRIN2BKMT2ATP53PTGDR2
SCHEMBL8860029 0.90 GRIN1 (0.41) GRIN1GRIN2BKMT2APTGDR2GPBAR1
SCHEMBL387902 0.90 GRIN1 (0.41) GRIN1GRIN2BKMT2ATP53PTGDR2
SCHEMBL830093 0.89 KMT2A (0.45) KMT2ATP53YWHAHPTGDR2MEN1
SCHEMBL829827 0.88 KMT2A (0.44) KMT2ATP53YWHAHMEN1KDM4E
SCHEMBL829913 0.87 PPARG (0.42) GRIN1GRIN2BKMT2ATP53PTGDR2
SCHEMBL829604 0.87 KMT2A (0.43) KMT2ATP53YWHAHMEN1FFAR4
SCHEMBL14802291 0.84 TP53 (0.42) GRIN1GRIN2BKMT2ATP53YWHAH
SCHEMBL862331 0.83 GRIN1 (0.41) GRIN1GRIN2BPTGDR2GPBAR1KDM4E
SCHEMBL6123087 0.81 KMT2A (0.40) KMT2ATP53PTGDR2MEN1

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 GRIN1 2446/4885GRIN2B 1641/4885KMT2A 321/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT GRIN1 1326/4885GRIN2B 885/4885KMT2A 537/4885

“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.