SCHEMBL13734945

SCHEMBL13734945

CC(=O)NC1C(OCCOCCOCCOCCOCCOCCOCCCCS)OC(CO)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 3/20 0.69
LGALS8 O00214 2/20 0.69
LGALS4 P56470 2/20 0.69
MAPK1 P28482 1/20 0.68
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.52
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
B4GALT1 P15291 1/20 0.45
CD69 Q07108 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10060391 0.99 LGALS3 (0.71) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL10026220 0.99 LGALS3 (0.71) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL19475940 0.92 MAPK1 (0.65) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL18828676 0.92 MAPK1 (0.65) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL2482720 0.92 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL12715191 0.92 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL12715043 0.92 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL14355286 0.92 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL18962223 0.92 MAPK1 (0.72) LGALS3LGALS8LGALS4MAPK1MEN1
SCHEMBL13736745 0.90 LGALS3 (0.87) LGALS3LGALS8LGALS4MAPK1MEN1

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-20090206245-A1 Mass analysis method using fine metal particles SHIONOGI CO., LTD (JP) 2009-08-20 US disclosed
US-20090206245-A1 Mass analysis method using fine metal particles SHIONOGI CO., LTD (JP) 2009-08-20 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-20090206245-A1 Mass analysis method using fine metal particles OSTC, ZKSCAN2, SLC17A5 LGALS3 206/4885LGALS8 733/4885LGALS4 119/4885

“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.