SCHEMBL6238697

SCHEMBL6238697

N#Cc1ccccc1S(=O)(=O)NN

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
SLC22A12 Q96S37 5/20 0.53
SLC40A1 Q9NP59 1/20 0.49
KAT6A Q92794 1/20 0.49
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.45
FBP1 P09467 1/20 0.44
BRD1 O95696 1/20 0.44
BRPF1 P55201 1/20 0.44
LMNA P02545 1/20 0.43
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
HSPE1 P61604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
SGK1 O00141 1/20 0.41

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
SCHEMBL13211030 0.81 ALDH1A1 (0.58) ALDH1A1HTTSLC22A12SLC40A1KAT6A
SCHEMBL8224003 0.81 ALDH1A1 (0.53) ALDH1A1HTTSLC22A12SLC40A1KAT6A
SCHEMBL1427884 0.79 CA1 (0.48) KMT2A
SCHEMBL1145362 0.78 ALDH1A1 (0.54) ALDH1A1HTTSLC22A12SLC40A1KAT6A
SCHEMBL29961798 0.78 CA2 (0.58) ALDH1A1HTTSLC22A12POLBLMNA
SCHEMBL291455 0.78 CA2 (0.58) ALDH1A1HTTSLC22A12POLBLMNA
SCHEMBL8514629 0.77 ALDH1A1 (0.62) ALDH1A1HTTSLC22A12SLC40A1KAT6A
SCHEMBL30468568 0.77 ALDH1A1 (0.62) ALDH1A1HTTSLC22A12SLC40A1KAT6A
SCHEMBL16000126 0.77 LMNA (0.54) ALDH1A1HTTSLC22A12SLC40A1KAT6A
SCHEMBL5002972 0.77 ALDH1A1 (0.53) ALDH1A1HTTSLC22A12SLC40A1KAT6A

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 ALDH1A1 642/4885HTT 33/4885SLC22A12 350/4885

“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.