SCHEMBL16610465

SCHEMBL16610465

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H](C)OC(=O)[C@H]1[C@@H]2C[C@H](F)[C@@](N)(C(=O)OS(=O)(=O)c3ccccc3)[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.52
GRM3 Q14832 1/20 0.52
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP19A1 P11511 2/20 0.33
NPSR1 Q6W5P4 4/20 0.33
MAPK1 P28482 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MITF O75030 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACLY P53396 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 3/20 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
SCHEMBL16610612 0.93 GRM2 (0.50) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16610463 0.89 GRM2 (0.51) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16610573 0.88 GRM2 (0.50) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16610499 0.86 GRM2 (0.51) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL19177419 0.84 GRM2 (0.54) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16610929 0.84 GRM2 (0.54) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16610556 0.84 GRM2 (0.54) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16613104 0.84 GRM2 (0.54) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16610461 0.84 GRM2 (0.54) GRM2GRM3ALDH1A1HPGDLMNA
SCHEMBL16610571 0.83 GRM2 (0.51) GRM2GRM3ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857385-B1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID TAISHO PHARMACEUTICAL CO LTD (JP) 2017-08-02 EP disclosed
US-9428483-B2 Prodrug of fluorine-containing amino acid TAISHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-30 US disclosed
US-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-21 US disclosed
EP-2857385-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-08 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-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID SLC1A2, SLC1A1, SLC1A3 GRM2 9/4885GRM3 12/4885ALDH1A1 1118/4885

“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.