SCHEMBL16832060

SCHEMBL16832060

CCN1C(=O)c2ccc(B(O)O)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP1B1 Q16678 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL12420227 0.83 KDM4E (0.48) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL12420229 0.78 KMT2A (0.62) ALDH1A1MEN1KMT2ACYP1B1LMNA
SCHEMBL17714975 0.77 POLB (0.57) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL12235640 0.77 POLB (0.62) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL12420232 0.75 CASP3 (0.57) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL26832356 0.75 POLB (0.56) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL26832358 0.75 POLB (0.56) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL26832339 0.75 POLB (0.56) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL10054041 0.74 POLB (0.59) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL13159268 0.74 POLB (0.78) POLBALDH1A1MEN1KMT2ATSHR

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 5 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-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
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

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 POLB 1963/4885ALDH1A1 799/4885MEN1 4800/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 POLB 1963/4885ALDH1A1 799/4885MEN1 4800/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 POLB 1963/4885ALDH1A1 799/4885MEN1 4800/4885

“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.

Send feedback