SCHEMBL6882365

SCHEMBL6882365

COc1c(C)cnc(C[S+]([O-])c2nc3cc(OC(F)(F)Cl)ccc3[nH]2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
BRS3 P32247 2/20 0.36
ATP4A P20648 9/20 0.36
ATP4B P51164 9/20 0.36
ATP1A1 P05023 6/20 0.36
ATP1B1 P05026 6/20 0.36
ATP1A3 P13637 6/20 0.36
ATP1B2 P14415 6/20 0.36
ATP1A2 P50993 6/20 0.36
ATP1B3 P54709 6/20 0.36
FXYD2 P54710 6/20 0.36
ATP1A4 Q13733 6/20 0.36
KMT2A Q03164 4/20 0.35
WDR5 P61964 3/20 0.35
DDAH1 O94760 2/20 0.35
ENGASE Q8NFI3 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 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
SCHEMBL6881054 0.93 RUNX1 (0.38) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL6873282 0.90 ATP4A (0.44) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL21671227 0.89 BRS3 (0.45) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL6884504 0.88 ATP4A (0.43) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL6879493 0.88 ATP4A (0.46) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL6872824 0.87 ATP4A (0.49) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL23988599 0.86 BRS3 (0.43) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL23988275 0.86 BRS3 (0.43) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL9527196 0.86 BRS3 (0.43) CYP2C9BRS3ATP4AATP4BATP1A1
SCHEMBL6881153 0.85 ATP4A (0.44) CYP2C9ATP4AATP4BATP1A1ATP1B1

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
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP 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 (2 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-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 CYP2C9 1227/4885BRS3 56/4885ATP4A 298/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 CYP2C9 2737/4885BRS3 203/4885ATP4A 1229/4885

“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.