SCHEMBL6021022

SCHEMBL6021022

COc1cc2sc(C(=O)O)c(OCC3CC3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.49
PDE4B Q07343 3/20 0.40
PDE4D Q08499 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 2/20 0.39
PLK1 P53350 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.36
ACHE P22303 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL6020839 0.95 STING1 (0.47) STING1PDE4BPLK1DYRK1AACHE
SCHEMBL6021329 0.95 STING1 (0.47) STING1PDE4BPDE4DPDE4APDE4C
SCHEMBL6021255 0.94 STING1 (0.46) STING1PDE4BPLK1DYRK1APARP15
SCHEMBL6021540 0.94 STING1 (0.46) STING1PDE4BPLK1DYRK1APARP15
SCHEMBL6021442 0.90 STING1 (0.46) STING1PDE4BPDE4DPDE4APDE4C
SCHEMBL6020606 0.88 STING1 (0.44) STING1L3MBTL1ACHE
SCHEMBL4769989 0.88 STING1 (0.43) STING1PDE4BPLK1L3MBTL1DYRK1A
SCHEMBL6026545 0.85 HTR2A (0.41) STING1PLK1DYRK1APARP15PARP10
SCHEMBL4762800 0.83 STING1 (0.46) STING1L3MBTL1DYRK1AKDM4EALDH1A1
SCHEMBL4763705 0.83 STING1 (0.41) STING1L3MBTL1DYRK1AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636210-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents CONNOLLY MICHAEL KEVIN (US) 2005-01-27 US disclosed
WO-2004108713-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents MALT1, CYP1B1, WEE2 STING1 2586/4885PDE4B 3025/4885PDE4D 4382/4885

“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.