SCHEMBL2046410

SCHEMBL2046410

[CH2]c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
PDE2A O00408 1/20 0.34
GPR3 P46089 1/20 0.31
SLC7A5 Q01650 1/20 0.31
SLC1A5 Q15758 1/20 0.30
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL16954143 0.88 CYP1A2 (0.40) PDE2A
SCHEMBL16953063 0.88 CYP1A2 (0.40) EPHX2PDE2A
SCHEMBL16961146 0.83 S1PR1 (0.39) KDM4ERXRARXRBRXRG
SCHEMBL16957605 0.83 S1PR1 (0.39) KDM4ERXRARXRBRXRG
SCHEMBL16961537 0.83 KCNK3 (0.41) EPHX2PDE2ASLC7A5APPRXRA
SCHEMBL3163242 0.83 EPHX2 (0.39) EPHX2PDE2AGPR3SLC7A5
SCHEMBL900954 0.83 EPHX2 (0.50) EPHX2PDE2AGPR3SLC7A5
SCHEMBL16960635 0.81 SCN5A (0.41) EPHX2PDE2A
SCHEMBL16960745 0.81 NOTUM (0.37) EPHX2PDE2AGPR3
SCHEMBL3165747 0.81 SLC1A5 (0.43) SLC1A5

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 WO disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 (7 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 EPHX2 2590/4885PDE2A 2485/4885GPR3 412/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 EPHX2 960/4885PDE2A 4482/4885GPR3 738/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 EPHX2 4087/4885PDE2A 3632/4885GPR3 2347/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 EPHX2 3486/4885PDE2A 3153/4885GPR3 2286/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 EPHX2 1567/4885PDE2A 4062/4885GPR3 1359/4885
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests CRY1, PIR, DDT EPHX2 3083/4885PDE2A 415/4885GPR3 2106/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 EPHX2 1506/4885PDE2A 3009/4885GPR3 807/4885

“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.