SCHEMBL6808644

SCHEMBL6808644

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
MPO P05164 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CD O00329 1/20 0.33
ESR1 P03372 1/20 0.33
EDNRA P25101 1/20 0.33
PKM P14618 1/20 0.32
STING1 Q86WV6 1/20 0.32
MAOB P27338 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALPL P05186 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL4792469 0.94 PIK3CD (0.40) PDGFRAKDRMPOCYSLTR1PIK3CD
SCHEMBL6808606 0.94 PIK3CD (0.36) PDGFRAKDRMPOCYSLTR1PIK3CD
SCHEMBL6812307 0.92 KMT2A (0.39) PDGFRAKDRPKMSTING1MEN1
SCHEMBL6812764 0.92 AURKB (0.33) PDGFRAKDRMPOCYSLTR1L3MBTL1
SCHEMBL6817003 0.92 EDNRA (0.41) PDGFRAKDRMPOCYSLTR1L3MBTL1
SCHEMBL7061980 0.91 RET (0.40) KDRMPOCYSLTR1L3MBTL1PIK3CD
SCHEMBL6811963 0.90 KDM4E (0.39) PDGFRAKDRMPOCYSLTR1L3MBTL1
SCHEMBL6808640 0.89 STING1 (0.35) PDGFRAKDRMPOCYSLTR1L3MBTL1
SCHEMBL6812158 0.89 MPO (0.44) MPOCYSLTR1L3MBTL1EDNRAMAOB
SCHEMBL5791121 0.89 STING1 (0.36) PDGFRAKDRPIK3CDEDNRASTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDGFRA 1175/4885KDR 1100/4885MPO 3227/4885

“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.