SCHEMBL830571

SCHEMBL830571

COc1ncc(-c2c(C(=O)NS(C)(=O)=O)n(Cc3ccnc(NC(=O)OC(C)(C)C)c3)c3ccc(Cl)cc23)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.40
P2RX3 P56373 3/20 0.36
MCL1 Q07820 1/20 0.36
PPARG P37231 1/20 0.36
CDK9 P50750 1/20 0.36
MKNK2 Q9HBH9 1/20 0.34
PTGER1 P34995 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP2C9 P11712 1/20 0.33
IGF1R P08069 1/20 0.33
SCN9A Q15858 5/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL830572 0.91 CCR2 (0.39) CCR2P2RX3PPARGCDK9MKNK2
SCHEMBL830148 0.88 CCR2 (0.41) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL387087 0.88 MKNK2 (0.44) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL830149 0.85 CCR2 (0.39) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL829235 0.81 CCR2 (0.42) CCR2P2RX3MCL1PPARGCDK9
SCHEMBL831472 0.79 CCR2 (0.44) CCR2P2RX3MCL1PPARGCDK9
SCHEMBL830782 0.79 PPARG (0.38) CCR2P2RX3MCL1PPARGCDK9
SCHEMBL830670 0.79 CCR2 (0.40) CCR2P2RX3PPARGCDK9MKNK2
SCHEMBL13209991 0.78 PPARG (0.40) CCR2P2RX3MCL1PPARGCDK9
SCHEMBL831263 0.76 MKNK2 (0.46) CCR2P2RX3CDK9MKNK2PTGER1

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 6 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
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 CCR2 106/4885P2RX3 1125/4885MCL1 872/4885

“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.