Sugi Predict

Sugi Predict / Compounds / SCHEMBL830148

SCHEMBL830148

SCHEMBL830148

COc1ncc(-c2c(C(=O)Nc3ccccc3S(N)(=O)=O)n(Cc3ccnc(NC(=O)OC(C)(C)C)c3)c3ccc(Cl)cc23)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 3/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ P2RX3 P56373 3/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ LDHA P00338 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL830571 0.88 CCR2 (0.40) CCR2P2RX3CDK9MKNK2CYP2C9
SCHEMBL830572 0.87 CCR2 (0.39) CCR2P2RX3CDK9MKNK2CYP2C9
SCHEMBL830149 0.86 CCR2 (0.39) CCR2P2RX3CDK9MKNK2CYP2C9
SCHEMBL387087 0.84 MKNK2 (0.44) CCR2P2RX3CDK9MKNK2CYP2C9
SCHEMBL829235 0.78 CCR2 (0.42) CCR2P2RX3CDK9CYP2C9PTGER1
SCHEMBL830670 0.76 CCR2 (0.40) CCR2P2RX3CDK9MKNK2CYP2C9
SCHEMBL831263 0.74 MKNK2 (0.46) CCR2P2RX3CDK9MKNK2CYP2C9
SCHEMBL832109 0.72 PTGDR2 (0.40) CCR2CYP2C9MAPTFAAH
SCHEMBL831472 0.71 CCR2 (0.44) CCR2P2RX3CDK9CYP2C9PTGER1
SCHEMBL832107 0.70 KDR (0.39) CCR2CYP2C9KDM4EMAPTFAAH

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 106/4885PTGES2 1195/4885P2RX3 1125/4885

“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.