SCHEMBL6812741

SCHEMBL6812741

COC(=O)Cc1ccc(Sc2c(C(=O)Nc3nnn[nH]3)sc3cc(OC)c(C)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MPO P05164 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
GLS O94925 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
SCHEMBL5793696 0.97 PIK3CD (0.39) PIK3CDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5794381 0.94 GLS (0.33) PIK3CDSMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL5794401 0.94 PIK3CD (0.36) PIK3CDPOLBL3MBTL1PKMKDM4E
SCHEMBL5793236 0.92 PIK3CD (0.35) PIK3CDSMN1; SMN2LMNAPOLBPKM
SCHEMBL4762897 0.90 PIK3CD (0.39) PIK3CDPOLBL3MBTL1PKMKDM4E
SCHEMBL6808606 0.89 PIK3CD (0.36) PIK3CDNPC1RAB9APKMKDM4E
SCHEMBL5821279 0.89 PIK3CD (0.38) PIK3CDSMN1; SMN2LMNAPOLBPKM
SCHEMBL5791121 0.88 STING1 (0.36) PIK3CDPOLBKDM4EALDH1A1GLS
SCHEMBL5795016 0.88 PIK3CD (0.36) PIK3CDNPC1RAB9APOLBPKM
SCHEMBL6813115 0.87 PIK3CD (0.35) PIK3CDLMNAPOLBPKMMAPT

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 3754/4885SMN1; SMN2 3612/4885NPC1 968/4885

“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.