SCHEMBL2198477

SCHEMBL2198477

Cc1ccc(S(=O)(=O)c2cnc3cccc(O)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.47
GRM5 P41594 3/20 0.46
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALPL P05186 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2201152 0.81 GRM5 (0.44) GRM5GAAKDM4EALDH1A1ALPL
SCHEMBL3834089 0.77 KDM4E (0.66) COMTGRM5GAAKMT2AKDM4E
SCHEMBL30618062 0.77 KDM4E (0.66) COMTGRM5GAAKMT2AKDM4E
SCHEMBL5215594 0.75 KDM4E (0.53) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL1346789 0.73 GRM5 (0.63) COMTGRM5GAAMEN1KMT2A
SCHEMBL2203586 0.71 IL1RN (0.46) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL1346311 0.69 GRM5 (0.70) COMTGRM5GAAKDM4EALDH1A1
SCHEMBL28010138 0.68 ERN1 (0.42) GAAESR1KMT2AESR2KDM4E
SCHEMBL29696057 0.68 ERN1 (0.42) GAAESR1KMT2AESR2KDM4E
SCHEMBL15681793 0.67 GAA (0.59) COMTGAAMEN1KMT2AALDH1A1

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 COMT 577/4885GRM5 697/4885GAA 337/4885

“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.