SCHEMBL4764289

SCHEMBL4764289

CCOc1ccc2sc(C(=O)O)c(SC3CCCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.41
ALDH1A1 P00352 8/20 0.40
RAB9A P51151 6/20 0.40
HPGD P15428 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 7/20 0.39
PKM P14618 1/20 0.39
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 2/20 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
SCHEMBL4766509 0.99 EDNRA (0.41) EDNRAALDH1A1RAB9AHPGDNPC1
SCHEMBL4766614 0.89 EDNRA (0.48) EDNRAALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL4766085 0.87 EDNRA (0.47) EDNRAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4770450 0.78 EDNRA (0.59) EDNRAALDH1A1RAB9AHPGDNPC1
SCHEMBL5228162 0.76 MAPT (0.54) EDNRAALDH1A1RAB9AHPGDNPC1
SCHEMBL4772093 0.76 EDNRA (0.51) EDNRAALDH1A1RAB9AHPGDNPC1
SCHEMBL4768131 0.75 STING1 (0.43) EDNRAALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL4762820 0.74 STING1 (0.43) EDNRAALDH1A1KMT2AL3MBTL1POLB
SCHEMBL4766147 0.73 EDNRA (0.45) EDNRARAB9ANPC1L3MBTL1CYP1A2
SCHEMBL4770100 0.73 DYRK1A (0.35) EDNRAALDH1A1HPGDSMN1; SMN2KMT2A

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 10 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
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO 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 2852/4885ALDH1A1 265/4885RAB9A 3824/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA EDNRA 1595/4885ALDH1A1 3844/4885RAB9A 2159/4885

“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.