SCHEMBL6882809

SCHEMBL6882809

COc1cc2[nH]c(SCc3ncc(OC)c(OC)c3C)nc2cc1OC(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.54
ATP4A P20648 10/20 0.49
ATP4B P51164 10/20 0.49
ATP1A1 P05023 6/20 0.49
ATP1B1 P05026 6/20 0.49
ATP1A3 P13637 6/20 0.49
ATP1B2 P14415 6/20 0.49
ATP1A2 P50993 6/20 0.49
ATP1B3 P54709 6/20 0.49
FXYD2 P54710 6/20 0.49
ATP1A4 Q13733 6/20 0.49
ENPP1 P22413 2/20 0.43
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2B6 P20813 2/20 0.39

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
SCHEMBL6882415 0.99 BRS3 (0.55) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL27697403 0.98 BRS3 (0.54) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL9527971 0.93 BRS3 (0.63) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL10502388 0.92 BRS3 (0.52) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL9526323 0.91 BRS3 (0.66) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL10373409 0.90 BRS3 (0.49) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL10371838 0.89 BRS3 (0.47) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL10370950 0.88 BRS3 (0.51) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL6881008 0.88 BRS3 (0.54) BRS3ATP4AATP4BATP1A1ATP1B1
SCHEMBL10375219 0.88 BRS3 (0.48) BRS3ATP4AATP4BATP1A1ATP1B1

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 56/4885ATP4A 298/4885ATP4B 428/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 BRS3 203/4885ATP4A 1229/4885ATP4B 990/4885

“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.