SCHEMBL5791121

SCHEMBL5791121

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccc(CC(=O)O)cc3)c2cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.36
CA5A P35218 1/20 0.33
NR1H4 Q96RI1 3/20 0.33
GLS O94925 2/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32

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
SCHEMBL5794401 0.94 PIK3CD (0.36) STING1NR1H4GLSPIK3CDABL1
SCHEMBL4762897 0.94 PIK3CD (0.39) STING1NR1H4GLSPIK3CDABL1
SCHEMBL5794381 0.93 GLS (0.33) STING1GLSPDGFRAKDRPIK3CD
SCHEMBL6811917 0.92 STING1 (0.39) STING1GLSPDGFRAKDRABL1
SCHEMBL6817003 0.89 EDNRA (0.41) STING1PDGFRAKDRPIK3CDEDNRA
SCHEMBL6808644 0.89 PDGFRA (0.35) STING1PDGFRAKDRPIK3CDEDNRA
SCHEMBL6812307 0.88 KMT2A (0.39) STING1PDGFRAKDRKDM4ETUBB4A
SCHEMBL6812741 0.88 PIK3CD (0.36) GLSPIK3CDKDM4EPOLBALDH1A1
SCHEMBL5793696 0.88 PIK3CD (0.39) GLSPDGFRAKDRPIK3CDKDM4E
SCHEMBL4762949 0.86 PIK3CD (0.38) STING1PIK3CDABL1SRCPOLB

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-1636211-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 2006-03-22 EP disclosed
WO-2004108716-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
US-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 US 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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 STING1 3144/4885CA5A 3853/4885NR1H4 287/4885

“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.