SCHEMBL6882863

SCHEMBL6882863

FC(F)(F)C(F)(F)COc1ccnc(CSc2nc3ccccc3[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 3/20 0.69
▸ NOS3 P29474 2/20 0.69
▸ NOS1 P29475 2/20 0.69
▸ CYP1A2 P05177 7/20 0.57
▸ CYP2D6 P10635 7/20 0.57
▸ CYP2C9 P11712 7/20 0.57
▸ CYP2C19 P33261 7/20 0.57
▸ CYP2E1 P05181 6/20 0.57
▸ CYP2C8 P10632 6/20 0.57
▸ CYP2B6 P20813 6/20 0.57
▸ RAB9A P51151 9/20 0.52
▸ NPC1 O15118 8/20 0.52
▸ CYP3A4 P08684 6/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ TP53 P04637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6881221 0.91 NOS2 (0.72) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL6884539 0.88 NOS2 (0.67) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL6376330 0.85 NOS2 (0.66) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL6378263 0.84 NOS2 (0.68) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL10921495 0.81 NOS2 (0.73) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL2998260 0.81 NOS2 (0.76) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL6872792 0.81 NPC1 (0.54) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL10923700 0.80 NOS2 (0.68) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL10478420 0.80 NOS2 (0.48) NOS2NOS3NOS1CYP1A2CYP2D6
SCHEMBL8503495 0.80 NOS2 (0.78) NOS2NOS3NOS1CYP1A2CYP2D6

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-4628098-A Including Prevacid (TM) lansoprazole, 2-(3-methyl-4-(2,2,2-trifluoroethoxy)-5-methyl-pyrid-2 -yl)methylsulfinylbenzimidazole; proton pump inhibitors, antiulcer, antisecretory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-12-09 — — US claimed
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

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 NOS2 424/4885NOS3 426/4885NOS1 362/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 NOS2 3162/4885NOS3 3784/4885NOS1 4105/4885

“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.

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