SCHEMBL6879158

SCHEMBL6879158

COc1c(C)cnc(CSc2nc3cc(OC(F)(F)F)ccc3[nH]2)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.59
HTT P42858 1/20 0.41
CYP2D6 P10635 11/20 0.41
CYP2C9 P11712 11/20 0.41
CYP2C19 P33261 11/20 0.41
CYP1A2 P05177 10/20 0.41
CYP3A4 P08684 10/20 0.41
CYP2E1 P05181 10/20 0.41
CYP2C8 P10632 10/20 0.41
CYP2B6 P20813 10/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39

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
SCHEMBL9527112 0.93 BRS3 (0.69) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL6881219 0.92 BRS3 (0.57) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL6881774 0.92 BRS3 (0.56) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL6882491 0.89 BRS3 (0.58) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL6877051 0.88 BRS3 (0.59) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL6457331 0.87 BRS3 (0.57) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL9526883 0.85 BRS3 (0.66) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL9526888 0.85 BRS3 (0.66) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL10999588 0.85 BRS3 (0.47) BRS3HTTCYP2D6CYP2C9CYP2C19
SCHEMBL6871855 0.84 RUNX1 (0.52) BRS3CYP2D6CYP2C9CYP2C19CYP1A2

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-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-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 (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 BRS3 56/4885HTT 1043/4885CYP2D6 146/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 BRS3 203/4885HTT 2813/4885CYP2D6 2814/4885

“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.