SCHEMBL4092886

SCHEMBL4092886

COCOC1CC(C(=O)O)(c2ccsc2)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.41
SLC6A4 P31645 12/20 0.41
KCNA3 P22001 5/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNA2 P16389 1/20 0.32
KCNA1 Q09470 1/20 0.32

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
SCHEMBL13902235 0.88 SLC6A2 (0.40) SLC6A2SLC6A4KCNA3SLC6A3KCNA2
SCHEMBL13912658 0.79 SLC6A2 (0.37) SLC6A2SLC6A4KCNA3
SCHEMBL348555 0.78 ALDH1A1 (0.40)
SCHEMBL4094258 0.76 MAPT (0.38) SLC6A2SLC6A4KCNA3
SCHEMBL4097077 0.76 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL2794298 0.71 AKR1C1 (0.47) SLC6A2SLC6A4HCAR3HCAR2
SCHEMBL8110728 0.69 AKR1C1 (0.58) SLC6A2SLC6A4KCNA3HCAR3HCAR2
SCHEMBL8112526 0.69 AKR1C1 (0.53) SLC6A2SLC6A4KCNA3HCAR3HCAR2
SCHEMBL2874416 0.67 AKR1C1 (0.56) KCNA3HCAR3HCAR2
SCHEMBL5637245 0.67 ALDH1A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400660-A Triazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-04-01 CN disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 SLC6A2 1397/4885SLC6A4 704/4885KCNA3 3081/4885

“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.