SCHEMBL6589240

SCHEMBL6589240

COc1cnc(CSc2nc3cc(OC(F)F)ccc3[nH]2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 7/20 0.54
CYP2C8 P10632 7/20 0.54
CYP2D6 P10635 7/20 0.54
CYP2C9 P11712 7/20 0.54
CYP2B6 P20813 7/20 0.54
CYP2C19 P33261 7/20 0.54
CYP1A2 P05177 6/20 0.54
CYP3A4 P08684 6/20 0.54
ATP4A P20648 3/20 0.54
ATP4B P51164 3/20 0.54
NOS2 P35228 3/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
ENPP1 P22413 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL9526731 0.92 CYP2E1 (0.52) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10372853 0.90 CYP2E1 (0.52) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6881681 0.89 ATP4A (0.56) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6883063 0.88 NOS2 (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6871847 0.86 ATP4A (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10503770 0.86 ATP4A (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6882399 0.86 NOS2 (0.46) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL3540790 0.85 NOS2 (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL9526936 0.84 NOS2 (0.68) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL10501896 0.84 ATP4A (0.45) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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 13 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
CN-104114169-A Combination of CRTH2 antagonist and a proton pump inhibitor for the treatment of eosinophilic esophagitis ATOPIX THERAPEUTICS LTD 2014-10-22 CN 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-1300406-B1 Method for producing pyridine compound EISAI CO LTD (JP) 2004-10-06 EP disclosed
EP-0997461-B1 PROCESSES FOR THE PREPARATION OF PYRIDINE DERIVATIVES EISAI CO LTD (JP) 2003-05-21 EP disclosed
EP-1300406-A1 Method for producing pyridine compound Eisai Co., Ltd. (JP) 2003-04-09 EP disclosed
US-6313303-B1 2-((PYRIDIN-2-YL)-METHYLSULFINYL)-1H-BENZIMIDAZOLE DERIVATIVE IS PRODUCED BY OXIDIZING THE THIOETHER USING PERBORATE, N-HALOSUCCINIMIDE, 1,3-DIHALO-5,5-DIMETHYLHYDANTOIN, OR DICHLOROISOCYANURATE; CATALYSIS; SYNTHESIS OF OMEPRAZOLE, PANTOPRAZOLE, RABEPRAZOLE, LANSOPRAZOLE EISAI CO., LTD. (JP) 2001-11-06 US disclosed
EP-0997461-A1 PROCESSES FOR THE PREPARATION OF PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-05-03 EP 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 CYP2E1 343/4885CYP2C8 926/4885CYP2D6 146/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 CYP2E1 1998/4885CYP2C8 2314/4885CYP2D6 2814/4885

“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.