SCHEMBL4768131

SCHEMBL4768131

COc1cc2sc(C(=O)O)c(SC3CCCC3)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.43
EDNRA P25101 1/20 0.39
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.35
GPR35 Q9HC97 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ICAM1 P05362 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4762820 0.99 STING1 (0.43) STING1EDNRAPDGFRBPDGFRAL3MBTL1
SCHEMBL4771984 0.92 EDNRA (0.37) STING1EDNRAPDGFRBPDGFRAL3MBTL1
SCHEMBL4771792 0.91 DYRK1A (0.36) STING1EDNRAPDGFRBPDGFRAL3MBTL1
SCHEMBL6026774 0.91 EDNRA (0.36) STING1EDNRAPDGFRBPDGFRADYRK1A
SCHEMBL4770165 0.91 PIK3CD (0.37) STING1EDNRAPDGFRBPDGFRAL3MBTL1
SCHEMBL4768088 0.87 DYRK1A (0.36) STING1EDNRAPDGFRBPDGFRAL3MBTL1
SCHEMBL4770100 0.84 DYRK1A (0.35) STING1EDNRADYRK1AKMT2AICAM1
SCHEMBL4766614 0.84 EDNRA (0.48) EDNRAL3MBTL1DYRK1AMAOAICAM1
SCHEMBL4766085 0.83 EDNRA (0.47) EDNRAL3MBTL1DYRK1AMAOAICAM1
SCHEMBL4768277 0.81 STING1 (0.43) STING1EDNRADYRK1AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
EP-1636212-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP claimed
WO-2004108714-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
US-20040248954-A1 Cycloalkylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 US claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US disclosed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP disclosed
EP-1636212-B1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO¬B|THIOPHENES AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO disclosed
EP-1636212-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
WO-2004108714-A1 CYCLOALKYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
US-20040248954-A1 Cycloalkylsulfanyl 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 (2 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-20040248954-A1 Cycloalkylsulfanyl substituted benzo[b]thiophenes as therapeutic agents MALT1, BPNT1, CYP1B1 STING1 2995/4885EDNRA 2852/4885PDGFRB 266/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA STING1 915/4885EDNRA 1595/4885PDGFRB 185/4885

“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.