SCHEMBL6239644

SCHEMBL6239644

NNS(=O)(=O)c1cccc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.46
PTGES2 Q9H7Z7 8/20 0.46
SGK1 O00141 1/20 0.40
ACLY P53396 2/20 0.40
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
FPR2 P25090 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTOR P42345 1/20 0.37
CSNK1A1 P48729 1/20 0.37
MYLK Q15746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL6255940 0.81 PTGES2 (0.58) CCR4PTGES2ACLY
SCHEMBL5556357 0.81 PTGES2 (0.58) PTGES2SGK1ACLYGBA1
SCHEMBL420408 0.80 GBA1 (0.51) PTGES2GBA1
SCHEMBL22087597 0.79 PTGES2 (0.49) CCR4PTGES2CYP2C9
SCHEMBL6239903 0.78 SLC40A1 (0.50) PTGES2TP53GBA1
SCHEMBL2049215 0.76 CCR4 (0.40) CCR4PTGES2SGK1ACLY
SCHEMBL14812406 0.76 CCR4 (0.40) CCR4PTGES2ACLYHSD17B10
SCHEMBL10356224 0.75 TTR (0.41) CCR4PTGES2
SCHEMBL420075 0.74 PKM (0.49) PTGES2KDM4E
Hydrochloric Acid SCHEMBL28247661 0.73 TTR (0.40) CCR4PTGES2PIK3C3

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 8 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-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 CCR4 4772/4885PTGES2 1425/4885SGK1 2393/4885

“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.