SCHEMBL6817008

SCHEMBL6817008

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3cccc(Cl)c3Cl)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.36
PKM P14618 1/20 0.35
F10 P00742 2/20 0.35
EIF2AK1 Q9BQI3 1/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
MAPT P10636 4/20 0.33
CSF1R P07333 1/20 0.33
USP7 Q93009 1/20 0.33
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL6812674 0.90 MPO (0.40) PKMF10LMNAGAAMAPT
SCHEMBL7063957 0.87 NPC1 (0.35) EIF2AK1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6812328 0.86 EGFR (0.39) STING1PKMF10LMNAGAA
SCHEMBL6812595 0.85 MEN1 (0.33) STING1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6808640 0.85 STING1 (0.35) STING1PKMLMNAGAAKMT2A
SCHEMBL6812307 0.84 KMT2A (0.39) STING1PKMF10LMNASMN1; SMN2
SCHEMBL6812848 0.84 EDNRA (0.47) LMNAKMT2AMEN1KDRMAPT
SCHEMBL4790749 0.84 L3MBTL1 (0.37) LMNASMN1; SMN2NPC1RAB9AGAA
SCHEMBL6817003 0.84 EDNRA (0.41) STING1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7061980 0.83 RET (0.40) STING1PKMF10SMN1; 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 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 STING1 3144/4885PKM 4222/4885F10 3423/4885

“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.