SCHEMBL5795016

SCHEMBL5795016

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
EDNRA P25101 1/20 0.34
CSNK2A2 P19784 2/20 0.32
CSNK2A1 P68400 2/20 0.32
PKM P14618 1/20 0.32
DUSP3 P51452 1/20 0.32
TYMS P04818 1/20 0.32
MPO P05164 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 2/20 0.31
PTGER3 P43115 1/20 0.31
ESR1 P03372 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
P2RY14 Q15391 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 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
SCHEMBL4762834 0.97 PIK3CD (0.39) PIK3CDEDNRACSNK2A2CSNK2A1PKM
SCHEMBL6808606 0.91 PIK3CD (0.36) PIK3CDEDNRAPKMMPOCYSLTR1
SCHEMBL5794401 0.89 PIK3CD (0.36) PIK3CDEDNRAPKMPOLBGAA
SCHEMBL6813115 0.89 PIK3CD (0.35) PIK3CDEDNRAPKMMPOCYSLTR1
SCHEMBL4763527 0.89 PIK3CD (0.40) PIK3CDEDNRAPKMMPOCYSLTR1
SCHEMBL5793171 0.89 PIK3CD (0.40) PIK3CDEDNRAPKMDUSP3MPO
SCHEMBL4792469 0.88 PIK3CD (0.40) PIK3CDEDNRAPKMMPOCYSLTR1
SCHEMBL4792844 0.88 FFAR1 (0.41) PIK3CDKMT2ARAB9ANPC1MAPT
SCHEMBL6812741 0.88 PIK3CD (0.36) PIK3CDPKMMPOCYSLTR1RAB9A
SCHEMBL6811970 0.87 EDNRA (0.45) PIK3CDEDNRAMPOCYSLTR1MEN1

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 3754/4885EDNRA 2482/4885CSNK2A2 1160/4885

“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.