SCHEMBL2951820

SCHEMBL2951820

CC(=O)O[C@@H]1C=CC(=O)CO1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.55
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
PAX8 Q06710 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CA12 O43570 4/20 0.31
CA9 Q16790 4/20 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
SCHEMBL2951827 1.00 NLRP3 (0.55) NLRP3NFKB1NFKB2RELACA1
SCHEMBL10571332 0.83 NLRP3 (0.45) NLRP3NFKB1NFKB2RELAMAPT
SCHEMBL14634399 0.81 NLRP3 (0.48) NLRP3NFKB1NFKB2RELA
SCHEMBL14634400 0.81 NLRP3 (0.48) NLRP3NFKB1NFKB2RELA
SCHEMBL10573770 0.81 NLRP3 (0.44) NLRP3NFKB1NFKB2RELA
SCHEMBL10568146 0.79 NLRP3 (0.46) NLRP3NFKB1NFKB2RELA
SCHEMBL10567633 0.79 NLRP3 (0.49) NLRP3NFKB1NFKB2RELAMAPT
SCHEMBL28773473 0.78 NLRP3 (0.35) NLRP3
SCHEMBL6993914 0.77
SCHEMBL14634328 0.76 KMT2A (0.44) NLRP3NFKB1NFKB2RELAMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228373-B1 METHOD FOR PRODUCING 4'-ETHYNYL d4T ONCOLYS BIOPHARMA INC (JP) 2017-02-08 EP disclosed
EP-2228373-B1 METHOD FOR PRODUCING 4'-ETHYNYL d4T ONCOLYS BIOPHARMA INC (JP) 2017-02-08 EP disclosed
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537851-B1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-06-10 EP disclosed
US-9051288-B2 Method for producing 4′-ethynyl d4T ONCOLYS BIOPHARMA, INC. (JP) 2015-06-09 US disclosed
US-9051288-B2 Method for producing 4′-ethynyl d4T ONCOLYS BIOPHARMA, INC. (JP) 2015-06-09 US disclosed
US-8975394-B2 Process for preparation of β-glycoside compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-10 US disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
EP-2537851-A1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
US-20120309958-A1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-06 US disclosed
US-20100280235-A1 METHOD FOR PRODUCING 4'ETHYNYL d4T ONCOLYS BIOPHARMA, INC (JP) 2010-11-04 US disclosed
US-20100280235-A1 METHOD FOR PRODUCING 4'ETHYNYL d4T ONCOLYS BIOPHARMA, INC (JP) 2010-11-04 US disclosed
EP-2228373-A1 METHOD FOR PRODUCING 4'-ETHYNYL d4T Oncolys BioPharma, Inc. (JP) 2010-09-15 EP disclosed
WO-2009084655-A1 METHOD FOR PRODUCING 4'-ETHYNYL d4T ONCOLYS BIOPHARMA INC. (JP) 2009-07-09 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 (2 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-20100280235-A1 METHOD FOR PRODUCING 4'ETHYNYL d4T TYMS, DTYMK, DERA NLRP3 4711/4885NFKB1 2704/4885NFKB2 2771/4885
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A NLRP3 2062/4885NFKB1 3301/4885NFKB2 2924/4885

“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.