SCHEMBL829235

SCHEMBL829235

COc1ncccc1-c1c(C(=O)NS(=O)(=O)c2ccccc2)n(Cc2ccnc(NC(=O)OC(C)(C)C)c2)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.42
PPARG P37231 6/20 0.42
MCL1 Q07820 5/20 0.41
CYP2C9 P11712 1/20 0.37
PTGER1 P34995 1/20 0.37
SERPINE1 P05121 4/20 0.36
CDK9 P50750 1/20 0.36
P2RX3 P56373 1/20 0.35

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
SCHEMBL830670 0.89 CCR2 (0.40) CCR2PPARGCYP2C9PTGER1SERPINE1
SCHEMBL831263 0.85 MKNK2 (0.46) CCR2CYP2C9PTGER1CDK9P2RX3
SCHEMBL830782 0.82 PPARG (0.38) CCR2PPARGMCL1CDK9P2RX3
SCHEMBL830571 0.81 CCR2 (0.40) CCR2PPARGMCL1CYP2C9PTGER1
SCHEMBL13209991 0.80 PPARG (0.40) CCR2PPARGMCL1CDK9P2RX3
SCHEMBL460937 0.80 SERPINE1 (0.42) SERPINE1CDK9P2RX3
SCHEMBL828754 0.79 IGF1R (0.35) CCR2SERPINE1CDK9P2RX3
SCHEMBL829184 0.78 MKNK2 (0.43) CYP2C9CDK9P2RX3
SCHEMBL830572 0.78 CCR2 (0.39) CCR2PPARGCYP2C9PTGER1SERPINE1
SCHEMBL830148 0.78 CCR2 (0.41) CCR2CYP2C9PTGER1CDK9P2RX3

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 CCR2 106/4885PPARG 4093/4885MCL1 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.