SCHEMBL4257583

SCHEMBL4257583

N#Cc1cc(C(=O)O)c2sccc2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 14/20 0.64
XDH P47989 13/20 0.64
CSNK2A1 P68400 2/20 0.39
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
FEN1 P39748 2/20 0.36
DAO P14920 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL4263085 0.79 XDH (0.46) SLC22A12XDHHTT
SCHEMBL18607199 0.79 XDH (1.00) SLC22A12XDHCYP2C8CYP2C9
SCHEMBL1982101 0.76 XDH (0.55) SLC22A12XDHCSNK2A1FEN1
SCHEMBL6231017 0.76 XDH (0.45) SLC22A12XDHDAO
SCHEMBL6235314 0.75 CSNK2A1 (0.43) SLC22A12XDHCSNK2A1DAO
SCHEMBL19436147 0.73 XDH (0.45) SLC22A12XDHCSNK2A1
SCHEMBL20906115 0.73 XDH (0.45) SLC22A12XDHCSNK2A1HTT
SCHEMBL19436068 0.73 XDH (0.45) SLC22A12XDHCSNK2A1
SCHEMBL7668730 0.71 XDH (0.46) SLC22A12XDHCYP2C8CYP2C9HTT
SCHEMBL6230059 0.71 CDC25B (0.48) SLC22A12XDHCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 SLC22A12 2207/4885XDH 604/4885CSNK2A1 1465/4885

“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.