SCHEMBL4790749

SCHEMBL4790749

COc1ccc(OC)c(Sc2c(C(=O)Nc3nnn[nH]3)sc3cc(OC)c(OC)cc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
DHFR P00374 2/20 0.36
TYMS P04818 2/20 0.36
MPO P05164 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ESR1 P03372 1/20 0.36
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PTGIR P43119 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33
GLS O94925 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
SCHEMBL6817014 0.94 MPO (0.42) L3MBTL1DHFRTYMSMPOCYSLTR1
SCHEMBL6812848 0.87 EDNRA (0.47) L3MBTL1MPOCYSLTR1MAPTTP53
SCHEMBL7063957 0.86 NPC1 (0.35) L3MBTL1MAPTPOLBKMT2AMEN1
SCHEMBL6812396 0.86 MAPT (0.37) L3MBTL1MAPTPOLBESR1ALDH1A1
SCHEMBL6817003 0.85 EDNRA (0.41) L3MBTL1MPOCYSLTR1MAPTTP53
SCHEMBL6812595 0.85 MEN1 (0.33) L3MBTL1MAPTTP53POLBKMT2A
SCHEMBL6817004 0.85 HSD17B10 (0.35) L3MBTL1MAPTTP53POLBKMT2A
SCHEMBL6808644 0.84 PDGFRA (0.35) L3MBTL1MPOCYSLTR1MAPTTP53
SCHEMBL6817008 0.84 STING1 (0.36) MAPTTP53KMT2AMEN1PDGFRA
SCHEMBL6811963 0.84 KDM4E (0.39) L3MBTL1MPOCYSLTR1POLBESR1

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 5 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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 US claimed
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 (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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 L3MBTL1 128/4885DHFR 376/4885TYMS 367/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA L3MBTL1 3837/4885DHFR 3360/4885TYMS 1054/4885

“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.