SCHEMBL7784368

SCHEMBL7784368

C=C(C)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
CA12 O43570 2/20 0.70
CA9 Q16790 2/20 0.70
ALDH1A1 P00352 4/20 0.53
MMP1 P03956 3/20 0.53
MMP12 P39900 2/20 0.53
GAA P10253 1/20 0.53
KEAP1 Q14145 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP2C19 P33261 1/20 0.50
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49

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
SCHEMBL10700342 0.85 MMP1 (0.56) CA1CA2CA12CA9ALDH1A1
SCHEMBL7090406 0.84 CA2 (0.73) CA1CA2CA12CA9ALDH1A1
SCHEMBL10788040 0.83 MMP1 (0.59) ALDH1A1MMP1MMP12GAAKEAP1
SCHEMBL2760714 0.82 MMP1 (0.61) CA1CA2ALDH1A1MMP1MMP12
SCHEMBL10587546 0.80 MAOA (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL359770 0.79 MMP1 (0.79) ALDH1A1MMP1MMP12GAAMMP2
SCHEMBL11568507 0.77 MMP1 (0.56) CA1CA2ALDH1A1MMP1MMP12
SCHEMBL3239227 0.76 ALDH1A1 (0.71) ALDH1A1MMP1MMP12GAAKEAP1
SCHEMBL13758640 0.76 HSD11B1 (0.56) ALDH1A1MMP1MMP12GAAKEAP1
SCHEMBL16831931 0.76 RECQL (0.54) CA1CA2CA12CA9ALDH1A1

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-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
WO-2018137573-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO 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
EP-0671660-B1 Lead-frame forming material FUJI PHOTO FILM CO LTD (JP) 2001-10-17 EP disclosed
US-5670293-A LIGHT SENSITIVE MATERIAL WITH COPPER OR NICKEL ALLOYS, DRYING A PHOTOSENSITIVE LAYER AND WINDING THE COATED WEB INTO STRIPS AND STACKING FUJI PHOTO FILM CO., LTD. (JP) 1997-09-23 US disclosed
EP-0671660-A2 Lead-frame forming material FUJI PHOTO FILM CO., LTD. (JP) 1995-09-13 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 (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 4681/4885CA12 4870/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 CA1 4881/4885CA2 4681/4885CA12 4870/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 CA1 4881/4885CA2 4681/4885CA12 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.