SCHEMBL6808600

SCHEMBL6808600

COc1cc2sc(C(=O)Nc3nn[nH]n3)c(SCc3ccc(C#N)cc3)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
PIK3CD O00329 1/20 0.45
PKM P14618 1/20 0.44
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
PPP1CA P62136 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 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
SCHEMBL6812458 0.86 L3MBTL1 (0.38) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5762916 0.81 MAOB (0.44) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5764390 0.75 MAOA (0.39) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4792844 0.69 FFAR1 (0.41) PIK3CDALDH1A1KMT2AGAAMAPT
SCHEMBL6808614 0.67 POLB (0.40) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL5246136 0.66 PIK3CD (0.51) MPOCYSLTR1PIK3CDPKMMAPT
SCHEMBL4770049 0.66 MPO (0.52) MPOCYSLTR1PIK3CDPKMALDH1A1
SCHEMBL5744199 0.66 MPO (0.57) MPOCYSLTR1PIK3CDPKMKDM4E
SCHEMBL5791121 0.66 STING1 (0.36) PIK3CDKDM4EALDH1A1GAATDP1
SCHEMBL5794381 0.66 GLS (0.33) MPOCYSLTR1PIK3CDKDM4EALDH1A1

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

“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.