SCHEMBL5556357

SCHEMBL5556357

NNS(=O)(=O)c1cccc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 4/20 0.58
SGK1 O00141 2/20 0.42
AKR1B1 P15121 1/20 0.41
GBA1 P04062 1/20 0.38
KAT6A Q92794 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.36
ACLY P53396 1/20 0.35

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
SCHEMBL420408 0.83 GBA1 (0.51) PTGES2GBA1KAT6ASLC22A12ALDH1A1
SCHEMBL28712389 0.82 PTGES2 (0.56) PTGES2SGK1AKR1B1GBA1KAT6A
SCHEMBL6239903 0.81 SLC40A1 (0.50) PTGES2GBA1KAT6AALDH1A1
SCHEMBL6239644 0.81 CCR4 (0.46) PTGES2SGK1GBA1ACLY
SCHEMBL791010 0.80 PTGES2 (0.54) PTGES2SGK1AKR1B1KAT6AALDH1A1
SCHEMBL24429391 0.77 NSD2 (0.51) PTGES2ALDH1A1HSD11B1
SCHEMBL30307782 0.77 PTGES2 (0.64) PTGES2AKR1B1CA1CA2
SCHEMBL789494 0.77 PTGES2 (0.64) PTGES2AKR1B1CA1CA2
SCHEMBL420075 0.77 PKM (0.49) PTGES2
SCHEMBL29860559 0.76 AKR1B1 (0.56) PTGES2SGK1AKR1B1KAT6ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US claimed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP claimed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 WO claimed
EP-1827446-A2 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2007-09-05 EP disclosed
WO-2006062898-A2 COMPOUNDS AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES SIGA TECHNOLOGIES, INC. (US) 2006-06-15 WO disclosed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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 (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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT PTGES2 1425/4885SGK1 2393/4885AKR1B1 2319/4885

“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.