SCHEMBL16831728

SCHEMBL16831728

C=C1CNS(=O)(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 1/20 0.46
USP2 O75604 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
BCHE P06276 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR3 P46089 1/20 0.40
KEAP1 Q14145 1/20 0.40
MEN1 O00255 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
Ethylene SCHEMBL8644508 0.79 KDM4E (0.48) KDM4EKMT2ACA12USP2CA1
SCHEMBL6997121 0.78 KDM4E (0.52) KDM4EKMT2ACA12USP2CA1
SCHEMBL18638475 0.77 KDM4E (0.46) KDM4EKMT2ACA12USP2CA1
SCHEMBL16852910 0.73 KDM4E (0.42) KDM4EKMT2ACA12USP2CA1
SCHEMBL18186992 0.73 KDM4E (0.42) KDM4EKMT2ACA12USP2CA1
SCHEMBL61176 0.71 KEAP1 (0.44) KDM4EKMT2ACA12USP2CA1
SCHEMBL29681708 0.71 KEAP1 (0.44) KDM4EKMT2ACA12USP2CA1
SCHEMBL10196636 0.69 GPR3 (0.44) KDM4EKMT2ACA12USP2CA1
Hydrochloric Acid SCHEMBL7399331 0.69 KEAP1 (0.43) KDM4EKMT2ACA12USP2CA1
SCHEMBL10033198 0.69 KDM4E (0.61) KDM4EKMT2ACA12USP2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 KDM4E 1805/4885KMT2A 1623/4885CA12 4870/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 KDM4E 1805/4885KMT2A 1623/4885CA12 4870/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 KDM4E 1805/4885KMT2A 1623/4885CA12 4870/4885

“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.