SCHEMBL6882491

SCHEMBL6882491

COc1c(C)cnc(CSc2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.58
CYP2D6 P10635 8/20 0.48
CYP2C9 P11712 8/20 0.48
CYP2C19 P33261 8/20 0.48
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 7/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ATP4A P20648 3/20 0.44
ATP4B P51164 3/20 0.44
ATP1A1 P05023 2/20 0.44
ATP1B1 P05026 2/20 0.44
ATP1A3 P13637 2/20 0.44
ATP1B2 P14415 2/20 0.44
ATP1A2 P50993 2/20 0.44
ATP1B3 P54709 2/20 0.44
FXYD2 P54710 2/20 0.44
ATP1A4 Q13733 2/20 0.44
HTT P42858 1/20 0.41
CYP2E1 P05181 7/20 0.40

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
SCHEMBL9527448 0.93 BRS3 (0.68) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6879158 0.89 BRS3 (0.59) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6881219 0.88 BRS3 (0.57) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6881774 0.87 BRS3 (0.56) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6465866 0.87 ATP4A (0.57) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6877051 0.85 BRS3 (0.59) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6872845 0.85 CYP2C9 (0.57) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL9527112 0.83 BRS3 (0.69) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL9527455 0.83 CYP2D6 (0.46) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
Ufiprazole SCHEMBL662986 0.82 BRS3 (0.84) BRS3CYP2D6CYP2C9CYP2C19CYP1A2

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 BRS3 56/4885CYP2D6 146/4885CYP2C9 1227/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 BRS3 203/4885CYP2D6 2814/4885CYP2C9 2737/4885

“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.