SCHEMBL2719403

SCHEMBL2719403

O=C(OCI)OC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
HTT P42858 1/20 0.37
NAAA Q02083 2/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 3/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30
SERPINE1 P05121 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
SCHEMBL305170 0.96 EPHX1 (0.41) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL303883 0.94 EPHX1 (0.44) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL305711 0.82 L3MBTL1 (0.35) L3MBTL1
SCHEMBL697265 0.78 EPHX1 (0.41) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL8375449 0.78 ALDH1A1 (0.50) EPHX1HTTNAAACYP2C19L3MBTL1
SCHEMBL697833 0.78 EPHX1 (0.37) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL6007716 0.78 EPHX1 (0.46) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL5163942 0.78 EPHX1 (0.50) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL2956734 0.78 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL16368437 0.77

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907796-B2 Methods of treating tumoral diseases, or bacterial or viral infections INHIBIKASE THERAPEUTICS, INC. (US) 2018-03-06 US disclosed
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections SPHAERA PHARMA PTE. LTD. (SG) 2017-01-05 US disclosed
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections SPHAERA PHARMA PTE. LTD. (SG) 2017-01-05 US disclosed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 US disclosed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 US disclosed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 US disclosed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO 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 (3 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-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections POLI, RNASE1, VHL EPHX1 2104/4885HTT 2031/4885NAAA 425/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS EPHX1 2044/4885HTT 3608/4885NAAA 975/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 EPHX1 2234/4885HTT 4266/4885NAAA 460/4885

“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.