SCHEMBL6020724

SCHEMBL6020724

COc1cc2sc(C(=O)O)c(CCC3CC3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.46
ACHE P22303 7/20 0.39
MCL1 Q07820 7/20 0.38
BCL2 P10415 4/20 0.37
BCL2L1 Q07817 4/20 0.37
BAD Q92934 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL6020147 0.89 L3MBTL1 (0.44) STING1ACHEL3MBTL1KDM4EMEN1
SCHEMBL6020606 0.81 STING1 (0.44) STING1ACHEL3MBTL1
SCHEMBL6021022 0.78 STING1 (0.49) STING1ACHEL3MBTL1KDM4EALDH1A1
SCHEMBL4768124 0.77 STING1 (0.45) STING1ACHEL3MBTL1
SCHEMBL4762895 0.75 NPC1 (0.42) STING1ACHEKDM4EMEN1ALDH1A1
SCHEMBL6021329 0.73 STING1 (0.47) STING1ACHEL3MBTL1PIK3CD
SCHEMBL6020839 0.73 STING1 (0.47) STING1ACHEKDM4EMEN1ALDH1A1
SCHEMBL6021255 0.72 STING1 (0.46) STING1KDM4EALDH1A1HSD17B10
SCHEMBL6021540 0.72 STING1 (0.46) STING1KDM4EALDH1A1HSD17B10
SCHEMBL5224932 0.72 STING1 (0.69) STING1MCL1BCL2L1L3MBTL1KDM4E

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 2586/4885ACHE 4370/4885MCL1 502/4885

“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.