SCHEMBL5794401

SCHEMBL5794401

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
CASP6 P55212 1/20 0.33
CFB P00751 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
PPARD Q03181 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
GLS O94925 1/20 0.31
EDNRA P25101 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
AKR1B1 P15121 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PKM P14618 1/20 0.31
STING1 Q86WV6 1/20 0.31
CYP26A1 O43174 1/20 0.31
GAA P10253 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 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
SCHEMBL4762897 0.97 PIK3CD (0.39) PIK3CDCASP6CFBNR1H4PPARD
SCHEMBL5791121 0.94 STING1 (0.36) PIK3CDNR1H4ABL1SRCGLS
SCHEMBL6812741 0.94 PIK3CD (0.36) PIK3CDGLSKDM4EPOLBPKM
SCHEMBL5793696 0.90 PIK3CD (0.39) PIK3CDGLSKDM4EPOLBPKM
SCHEMBL5795016 0.89 PIK3CD (0.36) PIK3CDEDNRAPOLBPKMGAA
SCHEMBL6808606 0.89 PIK3CD (0.36) PIK3CDEDNRAKDM4EPKMTDP1
SCHEMBL4762949 0.89 PIK3CD (0.38) PIK3CDABL1SRCPOLBSTING1
SCHEMBL5793236 0.89 PIK3CD (0.35) PIK3CDABL1SRCPOLBPKM
SCHEMBL5794381 0.88 GLS (0.33) PIK3CDABL1SRCGLSKDM4E
SCHEMBL6813115 0.87 PIK3CD (0.35) PIK3CDEDNRAPOLBPKMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636211-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 2006-03-22 EP disclosed
WO-2004108716-A1 3-ARYLSULFANYL AND 3-HETEROARYLSULFANYL SUBSTITUTED BENZO[B]THIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO disclosed
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 3754/4885CASP6 2509/4885CFB 4188/4885

“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.