SCHEMBL830572

SCHEMBL830572

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.39
P2RX3 P56373 4/20 0.39
CDK9 P50750 1/20 0.39
MKNK2 Q9HBH9 1/20 0.36
PTGER1 P34995 2/20 0.35
CYP2C9 P11712 1/20 0.35
IGF1R P08069 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
PPARG P37231 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SERPINE1 P05121 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL387087 0.92 MKNK2 (0.44) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL830571 0.91 CCR2 (0.40) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL830670 0.88 CCR2 (0.40) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL830149 0.87 CCR2 (0.39) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL830148 0.87 CCR2 (0.41) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL832109 0.85 PTGDR2 (0.40) CCR2CYP2C9MEN1CYP3A4MAPT
SCHEMBL831263 0.79 MKNK2 (0.46) CCR2P2RX3CDK9MKNK2PTGER1
SCHEMBL829235 0.78 CCR2 (0.42) CCR2P2RX3CDK9PTGER1CYP2C9
SCHEMBL828754 0.77 IGF1R (0.35) CCR2P2RX3CDK9MKNK2IGF1R
SCHEMBL832107 0.77 KDR (0.39) CCR2CYP2C9CYP3A4MAPTALOX15

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 9 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 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 (3 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 CCR2 185/4885P2RX3 3132/4885CDK9 1963/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 CCR2 106/4885P2RX3 1125/4885CDK9 2081/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT CCR2 282/4885P2RX3 2904/4885CDK9 1475/4885

“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.