SCHEMBL2573293

SCHEMBL2573293

O=S(=O)(O)CCC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
DAO P14920 1/20 0.34
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
INPP5A Q14642 1/20 0.31
NAAA Q02083 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
KAT8 Q9H7Z6 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
SCHEMBL2570161 0.89 APP (0.38) APPDAOPTGS1PDE4ACNR2
SCHEMBL30140447 0.88 AOC2 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9050598 0.88 AOC2 (0.32) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8078390 0.84
SCHEMBL9320849 0.79 PTGS1 (0.36) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL4072061 0.79 ALDH1A1 (0.37) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL778629 0.78 INPP5A (0.35) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL2572863 0.78 PTGS1 (0.32) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL14647283 0.78 DAO (0.34) DAOPTGS1CNR2POLBHPGD
SCHEMBL3352759 0.77 INPP5A (0.47) CNR2INPP5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 APP 3724/4885DAO 4357/4885PTGS1 1043/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 APP 3491/4885DAO 3850/4885PTGS1 308/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 APP 3724/4885DAO 4357/4885PTGS1 1043/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 APP 3491/4885DAO 3850/4885PTGS1 308/4885

“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.