SCHEMBL16831998

SCHEMBL16831998

CCC1CNS(=O)(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
GRIA2 P42262 1/20 0.36
KEAP1 Q14145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
SLC10A2 Q12908 1/20 0.33
LMNA P02545 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL16831620 0.77 CA1 (0.63) CA1CA2GRIA2KEAP1ALDH1A1
SCHEMBL20269098 0.74 CAPN1 (0.35) CA1CA2GRIA2KEAP1LMNA
SCHEMBL18733699 0.74 CAPN1 (0.35) CA1CA2GRIA2KEAP1LMNA
SCHEMBL31306077 0.74 CAPN1 (0.35) CA1CA2GRIA2KEAP1LMNA
SCHEMBL20283264 0.74 CAPN1 (0.35) CA1CA2GRIA2KEAP1LMNA
SCHEMBL30620251 0.74 CAPN1 (0.35) CA1CA2GRIA2KEAP1LMNA
SCHEMBL10192516 0.74 CA1 (0.42) CA1CA2GRIA2KEAP1ALDH1A1
SCHEMBL7000186 0.74 CA1 (0.42) CA1CA2GRIA2KEAP1ALDH1A1
SCHEMBL6994177 0.73 CA1 (0.43) CA1CA2GRIA2KEAP1ALDH1A1
SCHEMBL25675916 0.71 ADRA1D (0.38) SLC10A2

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 CA1 4881/4885CA2 4681/4885GRIA2 1566/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 CA1 4881/4885CA2 4681/4885GRIA2 1566/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 CA1 4881/4885CA2 4681/4885GRIA2 1566/4885

“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.