SCHEMBL6883031

SCHEMBL6883031

CCOc1c(C)cnc(CSc2nc3cc4c(cc3[nH]2)OC(F)C(F)(F)O4)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.42
ATP4A P20648 4/20 0.35
ATP4B P51164 4/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.31
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 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
SCHEMBL6884253 0.90 BRS3 (0.49) BRS3ATP4AATP4BCYP1A2CYP2E1
SCHEMBL6881046 0.88 BRS3 (0.47) BRS3ATP4AATP4BRAB9ANPC1
SCHEMBL6883047 0.88 BRS3 (0.41) BRS3ATP4AATP4BRAB9ANPC1
SCHEMBL10369967 0.88 BRS3 (0.58) BRS3ATP4AATP4BRAB9ANPC1
SCHEMBL6879317 0.85 ATP4A (0.40) BRS3ATP4AATP4BRAB9ANPC1
SCHEMBL10370067 0.85 BRS3 (0.38) BRS3ATP4AATP4BRAB9ANPC1
SCHEMBL10373968 0.82 RAB9A (0.47) BRS3ATP4AATP4BRAB9ANPC1
SCHEMBL10501387 0.82 ATP4A (0.53) BRS3ATP4AATP4BRAB9ANPC1
SCHEMBL6882401 0.81 ATP4A (0.34) ATP4AATP4B
SCHEMBL6882481 0.81 ATP4A (0.40) ATP4AATP4BRAB9ANPC1CYP1A2

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 5 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
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.