SCHEMBL3540790

SCHEMBL3540790

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
CYP2D6 P10635 8/20 0.45
CYP2C9 P11712 8/20 0.45
CYP2C19 P33261 8/20 0.45
CYP1A2 P05177 7/20 0.45
CYP3A4 P08684 7/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP2E1 P05181 7/20 0.44
CYP2C8 P10632 7/20 0.44
CYP2B6 P20813 7/20 0.44
ENPP1 P22413 2/20 0.43
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41

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
SCHEMBL9527455 0.92 CYP2D6 (0.46) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL28815215 0.91 NOS2 (0.40) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL10370872 0.90 CYP2D6 (0.49) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL10372856 0.90 CYP2D6 (0.49) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL6883063 0.89 NOS2 (0.47) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL6882399 0.87 NOS2 (0.46) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL6881681 0.86 ATP4A (0.56) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL6439514 0.85 NOS2 (0.67) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL6589240 0.85 CYP2E1 (0.54) NOS2NOS3NOS1CYP2D6CYP2C9
SCHEMBL9526853 0.85 NOS2 (0.67) NOS2NOS3NOS1CYP2D6CYP2C9

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 15 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
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-7683177-B2 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2010-03-23 US disclosed
US-7683177-B2 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2010-03-23 US disclosed
WO-2008001392-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF PANTOPRAZOLE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2008-01-03 WO disclosed
US-20080004319-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole BRAUDE VIVIANA 2008-01-03 US disclosed
US-20080004319-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole BRAUDE VIVIANA 2008-01-03 US disclosed
EP-1615913-A2 PROCESS FOR PREPARING 2-(PYRIDINYL)METHYL SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE Teva Pharmaceutical Industries Limited (IL) 2006-01-18 EP disclosed
US-20050075370-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole TEVA PHARMACEUTICALS USA, INC. 2005-04-07 US disclosed
WO-2004111029-A2 PROCESS FOR PREPARING 2-[(PYRIDINYL)METHYL]SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-23 WO 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 (4 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-20080004319-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole RAB29, SQOR, RAB35 NOS2 2816/4885NOS3 1576/4885NOS1 3513/4885
US-20050075370-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole RAB29, SQOR, RAB35 NOS2 2816/4885NOS3 1576/4885NOS1 3513/4885
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.