SCHEMBL4166360

SCHEMBL4166360

O=[C]NCCN1CCS(=O)(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
MEN1 O00255 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP11B2 P19099 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 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
SCHEMBL1307984 0.89 TP53 (0.34) KMT2AACE2MEN1ALDH1A1
SCHEMBL1785086 0.81 HDAC2 (0.41) ACE2CNR1CYP1A2ALDH1A1CARM1
SCHEMBL3948277 0.79 SLC2A1 (0.38) ACE2CYP2C19ALDH1A1CARM1PRMT6
SCHEMBL12465581 0.79 ACE2 (0.48) KMT2AACE2MEN1CNR1CNR2
SCHEMBL1307630 0.79 CARM1 (0.50) ACE2NPC1ALDH1A1CARM1PRMT6
SCHEMBL5748703 0.79
SCHEMBL348038 0.77 CARM1 (0.48) KMT2AMEN1CYP1A2NPC1ALDH1A1
SCHEMBL10177623 0.75 CARM1 (0.58) KMT2AMEN1NPC1ALDH1A1CARM1
SCHEMBL3951607 0.75 SLC2A1 (0.37) KMT2AACE2MEN1CYP2C19ALDH1A1
SCHEMBL3949628 0.75 ALDH1A1 (0.43) KMT2AACE2MEN1CYP2C19ALDH1A1

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 KMT2A 2976/4885ACE2 1382/4885MEN1 218/4885

“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.