SCHEMBL5737084

SCHEMBL5737084

CC(C)(C)OC(=O)C=C1SC(Nc2c(Cl)cccc2Cl)=NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 3/20 0.38
▸ CISD1 Q9NZ45 1/20 0.35
▸ CXCL8 P10145 2/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ XPO1 O14980 1/20 0.31
▸ ALOX5 P09917 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
SCHEMBL5737082 1.00 LCK (0.38) LCKCISD1CXCL8PDK1PDK2
SCHEMBL5734285 0.88 ALDH1A1 (0.39) LCKCISD1ALDH1A1GAALMNA
SCHEMBL5734287 0.88 ALDH1A1 (0.39) LCKCISD1ALDH1A1GAALMNA
SCHEMBL5736377 0.84 MAPT (0.46) LCKCISD1ALDH1A1LMNAHTT
SCHEMBL5736379 0.84 MAPT (0.46) LCKCISD1ALDH1A1LMNAHTT
SCHEMBL5737245 0.81 CXCL8 (0.37) CISD1CXCL8ALDH1A1GAALMNA
SCHEMBL5737173 0.81 CXCL8 (0.37) CISD1CXCL8ALDH1A1GAALMNA
SCHEMBL5735240 0.81 CISD1 (0.35) LCKCISD1CXCL8ALDH1A1GAA
SCHEMBL5735244 0.81 CISD1 (0.35) LCKCISD1CXCL8ALDH1A1GAA
SCHEMBL5735213 0.80 CISD1 (0.35) CISD1CXCL8ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314426-B1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER LAMBERT CO (US) 2006-02-15 — — EP claimed
US-6632831-B2 Such as: (2-(2,6-Dichloro-phenylamino)-4-oxo-4H-thiazol-5-ylidene)-acet ic acid methyl ester PFIZER INC. 2003-10-14 — — US claimed
EP-1314426-A9 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-09-17 — — EP claimed
US-20030162779-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY 2003-08-28 — — US claimed
WO-2003045384-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 — — WO claimed
EP-1314426-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 — — EP claimed
EP-1314426-B1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER LAMBERT CO (US) 2006-02-15 — — EP disclosed
US-6632831-B2 Such as: (2-(2,6-Dichloro-phenylamino)-4-oxo-4H-thiazol-5-ylidene)-acet ic acid methyl ester PFIZER INC. 2003-10-14 — — US disclosed
EP-1314426-A9 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-09-17 — — EP disclosed
US-20030162779-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY 2003-08-28 — — US disclosed
WO-2003045384-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 — — WO disclosed
EP-1314426-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 2003-05-28 — — 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 (1 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-20030162779-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BCAT1, BCAT2, ABAT LCK 2045/4885CISD1 2983/4885CXCL8 3576/4885

“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.

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