SCHEMBL6883063

SCHEMBL6883063

COc1cnc(CSc2nc3cc(OC(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
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
CYP2E1 P05181 7/20 0.44
CYP2C8 P10632 7/20 0.44
CYP2D6 P10635 7/20 0.44
CYP2C9 P11712 7/20 0.44
CYP2B6 P20813 7/20 0.44
CYP2C19 P33261 7/20 0.44
CYP1A2 P05177 6/20 0.44
CYP3A4 P08684 6/20 0.44
RUNX1 Q01196 2/20 0.43
ENPP1 P22413 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NFKB1 P19838 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
SCHEMBL6882399 0.92 NOS2 (0.46) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL9527320 0.92 ATP1A1 (0.47) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL6881681 0.91 ATP4A (0.56) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL10370946 0.90 CYP2E1 (0.49) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL3540790 0.89 NOS2 (0.47) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL6589240 0.88 CYP2E1 (0.54) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL16210742 0.86 ATP4A (0.46) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL9527785 0.84 NOS2 (0.68) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL9530895 0.84 NOS2 (0.47) NOS2NOS3NOS1ATP4AATP4B
SCHEMBL15017671 0.84 ATP4A (0.46) NOS2NOS3NOS1ATP4AATP4B

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
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
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 (1 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

“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.