SCHEMBL6813115

SCHEMBL6813115

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccc(C(C)C)cc3)c2cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
MPO P05164 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MCL1 Q07820 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
EDNRA P25101 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL4878910 0.97 PIK3CD (0.38) PIK3CDMPOCYSLTR1MCL1PKM
SCHEMBL6808606 0.91 PIK3CD (0.36) PIK3CDMPOCYSLTR1PKMTDP1
SCHEMBL5795016 0.89 PIK3CD (0.36) PIK3CDMPOCYSLTR1PKMMEN1
SCHEMBL5793171 0.88 PIK3CD (0.40) PIK3CDMPOCYSLTR1PKMTDP1
SCHEMBL4792469 0.87 PIK3CD (0.40) PIK3CDMPOCYSLTR1PKMTDP1
SCHEMBL6812741 0.87 PIK3CD (0.36) PIK3CDMPOCYSLTR1PKMPOLB
SCHEMBL5794401 0.87 PIK3CD (0.36) PIK3CDPKMTDP1POLBEDNRA
SCHEMBL4790746 0.87 TUBB4A (0.36) PIK3CDPKMMEN1KMT2AEDNRA
SCHEMBL6811970 0.86 EDNRA (0.45) PIK3CDMPOCYSLTR1MEN1KMT2A
SCHEMBL4763527 0.86 PIK3CD (0.40) PIK3CDMPOCYSLTR1PKMMEN1

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 PIK3CD 3754/4885MPO 3227/4885CYSLTR1 45/4885

“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.