SCHEMBL6444099

SCHEMBL6444099

Cc1cnc(CSc2nc3ccccc3[nH]2)cc1OCC(F)(F)C(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ CYP1A2 P05177 4/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ CYP2C19 P33261 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ NOS3 P29474 1/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ CYP2E1 P05181 3/20 0.47
▸ CYP2C8 P10632 3/20 0.47
▸ CYP2B6 P20813 3/20 0.47
▸ AR P10275 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL6871817 0.90 NPC1 (0.64) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6872792 0.88 NPC1 (0.54) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6884539 0.81 NOS2 (0.67) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL10921305 0.81 RAB9A (0.55) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL8500232 0.80 NOS3 (0.56) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6884037 0.80 ATP4A (0.38) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL10920878 0.80 SMN1; SMN2 (0.58) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6873254 0.80 RAB9A (0.81) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL9526788 0.76 ATP4A (0.57) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL10924416 0.75 CYP2D6 (0.43) RAB9ANPC1CYP1A2CYP2D6CYP2C9

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-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
EP-1572098-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS Sohn, Stearns & Stern (US) 2005-09-14 — — EP disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 — — US disclosed
WO-2004034973-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS STERN WARREN (US) 2004-04-29 — — WO 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 RAB9A 2407/4885NPC1 646/4885CYP1A2 230/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 RAB9A 561/4885NPC1 1315/4885CYP1A2 2194/4885

“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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