Sugi Predict

Sugi Predict / Compounds / SCHEMBL830782

SCHEMBL830782

SCHEMBL830782

C#Cc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)NS(C)(=O)=O)n2Cc1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.38
▸ CCR2 P41597 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ CDK9 P50750 1/20 0.32
▸ TBK1 Q9UHD2 2/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.31
▸ GPR6 P46095 3/20 0.31
▸ P2RX3 P56373 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
SCHEMBL828754 0.91 IGF1R (0.35) CCR2IGF1RGABRA1GABRG2GABRB3
SCHEMBL13209991 0.85 PPARG (0.40) PPARGCCR2IGF1RSCN9ACDK9
SCHEMBL829235 0.82 CCR2 (0.42) PPARGCCR2CDK9MCL1P2RX3
SCHEMBL830670 0.80 CCR2 (0.40) PPARGCCR2IGF1RCDK9MKNK2
SCHEMBL829469 0.80 MKNK2 (0.40) CCR2IGF1RGABRA1GABRG2GABRB3
SCHEMBL460937 0.79 SERPINE1 (0.42) IGF1RCDK9TBK1MKNK2P2RX3
SCHEMBL830571 0.79 CCR2 (0.40) PPARGCCR2IGF1RSCN9ACDK9
SCHEMBL829184 0.78 MKNK2 (0.43) IGF1RCDK9TBK1MKNK2P2RX3
SCHEMBL831263 0.78 MKNK2 (0.46) CCR2IGF1RCDK9MKNK2P2RX3
SCHEMBL862220 0.78 MKNK2 (0.43) CCR2IGF1RCDK9TBK1MKNK2

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 4093/4885CCR2 106/4885IGF1R 2798/4885

“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.