SCHEMBL19206446

SCHEMBL19206446

CC(C)(C)C(=O)SCCCCOP(=O)(O)OCCCCSC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.35
LPAR2 Q9HBW0 5/20 0.35
LPAR1 Q92633 4/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MVD P53602 1/20 0.33
P2RY10 O00398 1/20 0.31

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
SCHEMBL5077985 0.87 CA12 (0.40) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL19315879 0.86 CA12 (0.33) LPAR3LPAR2LPAR1CA12CA1
Hydrochloric Acid SCHEMBL28609025 0.86 CA12 (0.39) CA12CA1CA2CA9MVD
SCHEMBL15833400 0.83 CA12 (0.37) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL17036893 0.83 CA12 (0.37) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL28587893 0.78 CA12 (0.41) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL19249018 0.75
SCHEMBL16647480 0.74
SCHEMBL14086322 0.73 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL23997644 0.72

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-10059734-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition FUJIFILM CORPORATION (JP) 2018-08-28 US disclosed
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2017-08-17 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 (2 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-10059734-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition SLC11A2, RNASE1, TYMP LPAR3 763/4885LPAR2 2043/4885LPAR1 1477/4885
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION SLC11A2, RNASE1, TYMP LPAR3 763/4885LPAR2 2043/4885LPAR1 1477/4885

“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.