SCHEMBL2201433

SCHEMBL2201433

COc1ccccc1-c1ncccc1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NFE2L2 Q16236 4/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
POLB P06746 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
S100A4 P26447 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
PADI1 Q9ULC6 1/20 0.43
PADI3 Q9ULW8 1/20 0.43
PADI4 Q9UM07 1/20 0.43
PADI2 Q9Y2J8 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE5A O76074 2/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL11112493 0.85 PDE5A (0.45) ALDH1A1PTGS1PTGS2HPGDSMN1; SMN2
SCHEMBL2203179 0.84 ALDH1A1 (0.47) ALDH1A1NFE2L2POLBSLC40A1SLC22A12
SCHEMBL28044194 0.80 ALDH1A1 (0.58) ALDH1A1ADORA2AADORA1S100A4HKDC1
SCHEMBL29700095 0.79 HTR6 (0.50) ALDH1A1POLBSLC22A12HPGDSMN1; SMN2
SCHEMBL27526791 0.79 ALDH1A1 (0.56) ALDH1A1ADORA2AHPGDSMN1; SMN2PDE5A
SCHEMBL8621133 0.77 PTGS2 (0.47) PTGS1PTGS2POLBKDM4ELMNA
SCHEMBL6065171 0.77 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2PDE5AAURKA
SCHEMBL1207531 0.76 ALDH1A1 (0.53) ALDH1A1ADORA2AADORA1HPGDSMN1; SMN2
SCHEMBL29983606 0.74 ALDH1A1 (0.51) ALDH1A1NFE2L2ADORA2AHPGDSMN1; SMN2
SCHEMBL2714237 0.74 ALDH1A1 (0.52) ALDH1A1PTGS1ADORA2AADORA1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
EP-1731507-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2006-12-13 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP ALDH1A1 1663/4885NFE2L2 107/4885PTGS1 153/4885

“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.