SCHEMBL4766085

SCHEMBL4766085

COc1ccc2sc(C(=O)O)c(SC3CCCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.47
DYRK1A Q13627 1/20 0.44
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
VCAM1 P19320 1/20 0.41
CES2 O00748 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
UBE2N P61088 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MDM2 Q00987 1/20 0.37

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
SCHEMBL4766614 0.99 EDNRA (0.48) EDNRADYRK1AICAM1SELEMAOA
SCHEMBL4766509 0.89 EDNRA (0.41) EDNRAL3MBTL1TDP1NPC1RAB9A
SCHEMBL4764289 0.87 EDNRA (0.41) EDNRAL3MBTL1TDP1NPC1RAB9A
SCHEMBL4762820 0.84 STING1 (0.43) EDNRADYRK1AICAM1MAOACES2
SCHEMBL4768131 0.83 STING1 (0.43) EDNRADYRK1AICAM1MAOAL3MBTL1
SCHEMBL4766147 0.83 EDNRA (0.45) EDNRADYRK1AICAM1SELEMAOA
SCHEMBL4771792 0.81 DYRK1A (0.36) EDNRADYRK1AICAM1MAOAMAOB
SCHEMBL4770165 0.81 PIK3CD (0.37) EDNRADYRK1AICAM1MAOAMAOB
SCHEMBL4771984 0.80 EDNRA (0.37) EDNRADYRK1AICAM1CES2L3MBTL1
SCHEMBL6026774 0.79 EDNRA (0.36) EDNRADYRK1AICAM1RAB9AMTNR1A

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 EDNRA 2852/4885DYRK1A 3978/4885ICAM1 1654/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA EDNRA 1595/4885DYRK1A 1368/4885ICAM1 198/4885

“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.