SCHEMBL2203586

SCHEMBL2203586

O=S(=O)(Nc1ccccc1)c1cnc2cccc(O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.46
KEAP1 Q14145 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
PGR P06401 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALPL P05186 2/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 3/20 0.43
GFER P55789 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
SCHEMBL11423660 0.76 KMT2A (0.51) IL1RNKEAP1ERAP1PGRPOLB
SCHEMBL4482436 0.73 CYP2C9 (0.57) IL1RNKEAP1ERAP1PGRPOLB
SCHEMBL2198477 0.71 COMT (0.47) ALDH1A1MEN1KMT2AKDM4EALPL
SCHEMBL4488183 0.69 TSHR (0.60) PGRALDH1A1KDM4E
SCHEMBL8081768 0.69 KEAP1 (0.79) IL1RNKEAP1ERAP1PGRPOLB
SCHEMBL12468392 0.69 MEN1 (0.53) IL1RNKEAP1ERAP1PGRPOLB
SCHEMBL7719310 0.69 ALPL (0.60) ALDH1A1KMT2ASLC40A1KDM4EALPL
SCHEMBL16719342 0.68 IL1RN (0.66) IL1RNKEAP1ERAP1PGRPOLB
SCHEMBL28723760 0.68 KDM4E (0.56) KDM4EHDAC2HDAC8MET
SCHEMBL30873746 0.68 KDM4E (0.56) KDM4EHDAC2HDAC8MET

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 IL1RN 3154/4885KEAP1 569/4885ERAP1 1767/4885

“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.