SCHEMBL4094258

SCHEMBL4094258

COCOC1CC(C(=O)O)(c2cccs2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRM3 P20309 1/20 0.37
KCNA3 P22001 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
GAA P10253 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
SCHEMBL2994923 0.88 MAPT (0.40) MAPTSLC6A2SLC6A4CHRM3ALDH1A1
SCHEMBL4092886 0.76 SLC6A2 (0.41) SLC6A2SLC6A4KCNA3
SCHEMBL4092897 0.76 SLC6A4 (0.34) SLC6A2SLC6A4
SCHEMBL348555 0.73 ALDH1A1 (0.40) ALDH1A1
SCHEMBL2795442 0.71 ALDH1A1 (0.51) MAPTALDH1A1TP53LMNAHTT
SCHEMBL2988124 0.69 ALDH1A1 (0.43) MAPTALDH1A1TP53LMNAHTT
SCHEMBL2986864 0.69 ALDH1A1 (0.46) MAPTALDH1A1TP53LMNAHTT
SCHEMBL2978592 0.69 AKR1C1 (0.53) SLC6A2SLC6A4CHRM3ALDH1A1TP53
SCHEMBL2987151 0.69 ALDH1A1 (0.49) MAPTSLC6A2CHRM3ALDH1A1TP53
SCHEMBL4951339 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3869/4885SLC6A2 1397/4885SLC6A4 704/4885

“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.