SCHEMBL6021050

SCHEMBL6021050

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.54
GPR35 Q9HC97 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PKM P14618 2/20 0.44
CA3 P07451 1/20 0.44
CA5A P35218 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
PTGS2 P35354 2/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
EDNRA P25101 1/20 0.41
MAOA P21397 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
SCHEMBL6026045 0.88 STING1 (0.43) STING1GPR35L3MBTL1CA12CA1
SCHEMBL5214310 0.85 L3MBTL1 (0.53) STING1L3MBTL1MAOAMAOBRXFP1
SCHEMBL5224932 0.83 STING1 (0.69) STING1GPR35L3MBTL1MAOAMCL1
SCHEMBL31564733 0.83 GPR35 (0.63) STING1GPR35L3MBTL1CA12CA1
SCHEMBL9023626 0.83 STING1 (0.54) STING1GPR35L3MBTL1CA12CA1
SCHEMBL31564775 0.82 STING1 (0.56) STING1GPR35L3MBTL1CA12CA1
SCHEMBL31564735 0.80 STING1 (0.50) STING1GPR35L3MBTL1CA12CA1
SCHEMBL24175081 0.78 STING1 (0.59) STING1L3MBTL1
SCHEMBL5805176 0.77 EDNRA (0.64) STING1L3MBTL1EDNRA
SCHEMBL5763855 0.77 EDNRA (0.51) STING1GPR35L3MBTL1CA12CA1

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 2586/4885GPR35 279/4885L3MBTL1 382/4885

“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.