SCHEMBL6873254

SCHEMBL6873254

Cc1c(OCC(F)(F)C(F)F)ccnc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.81
NPC1 O15118 7/20 0.81
CYP1A2 P05177 3/20 0.81
CYP2D6 P10635 3/20 0.81
CYP2C9 P11712 3/20 0.81
CYP2C19 P33261 3/20 0.81
CYP3A4 P08684 2/20 0.81
KMT2A Q03164 5/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
WDR5 P61964 2/20 0.52
ENGASE Q8NFI3 2/20 0.52
CYP2C8 P10632 2/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
SARM1 Q6SZW1 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL8442717 0.90 RAB9A (0.79) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL106519 0.90 RAB9A (1.00) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL30053816 0.90 RAB9A (1.00) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL1680900 0.89 RAB9A (0.98) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL29323856 0.89 RAB9A (0.86) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL1681186 0.89 RAB9A (0.98) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL6948284 0.89 RAB9A (0.98) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL6440543 0.88 RAB9A (0.85) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Lansoprazole Sulfide SCHEMBL1681462 0.87 RAB9A (0.90) RAB9ANPC1CYP1A2CYP2D6CYP2C9
Water SCHEMBL6737292 0.87 RAB9A (0.83) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800385-B1 ORAL SUSTAINED-RELEASE PREPARATION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-12-20 EP claimed
US-6113941-A POLYMER WITH IMIDAZOLE, BENZIMIDAZOLE, TRIAZOLE AND ALANYL GLYCINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US claimed
EP-0800385-A1 ORAL SUSTAINED-RELEASE PREPARATION Takeda Chemical Industries, Ltd. (JP) 1997-10-15 EP claimed
WO-1996010397-A1 ORAL SUSTAINED-RELEASE PREPARATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-11 WO claimed
EP-0382489-B1 Use of benzimidazole derivatives as antibacterial agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-11-17 EP claimed
US-5013743-A Use of substituted pyridylmethylsulfinyl- and pyridylmethylthiobenzimidazoles such as lansoprazole, 2-(3-methyl-4-(2,2,2-trifluoroethoxy)pyrid-2-yl)methylthiobenzimidazole TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-07 US claimed
EP-0382489-A2 Use of benzimidazole derivatives as antibacterial agents Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP claimed
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
EP-0800385-B1 ORAL SUSTAINED-RELEASE PREPARATION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-12-20 EP disclosed
US-6113941-A POLYMER WITH IMIDAZOLE, BENZIMIDAZOLE, TRIAZOLE AND ALANYL GLYCINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0800385-A1 ORAL SUSTAINED-RELEASE PREPARATION Takeda Chemical Industries, Ltd. (JP) 1997-10-15 EP disclosed
EP-0585722-B1 Benzimidazole derivatives as antimicrobal agent against Campylobacter pylon EISAI CO LTD (JP) 1996-05-15 EP disclosed
WO-1996010397-A1 ORAL SUSTAINED-RELEASE PREPARATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-11 WO disclosed
US-5456920-A Tablet containing active ingredient, excipient, oily or fatty substance having relatively low melting point; improved abrasion resistance TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
EP-0610854-A1 Tablets with improved abrasion resistance and method to produce them TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
EP-0585722-A1 Benzimidazole derivatives as antimicrobal agent against Campylobacter pylon Eisai Co., Ltd. (JP) 1994-03-09 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 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.