SCHEMBL16610495

SCHEMBL16610495

CC(C)(C)OC(=O)NC1(C(=O)O)C(F)CC2C(C(=O)O)C21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.44
GRM3 Q14832 3/20 0.44
BTK Q06187 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 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
SCHEMBL16610655 1.00 GRM2 (0.44) GRM2GRM3BTKMEN1MAPK1
SCHEMBL16731570 0.77 GRM2 (0.54) GRM2GRM3GRM8GRM4
SCHEMBL16622500 0.76 GRM2 (0.46) GRM2GRM3GRM8GRM4
SCHEMBL16610542 0.76 GRM2 (0.46) GRM2GRM3GRM8GRM4
SCHEMBL16610589 0.75 GRM2 (0.39) GRM2GRM3
SCHEMBL20751906 0.74 KMT2A (0.43) BTKMEN1MAPK1KMT2A
SCHEMBL16622495 0.73 GRM2 (0.54) GRM2GRM3GRM8GRM4
SCHEMBL16622512 0.73 GRM2 (0.34) GRM2GRM3DPP8DPP9
SCHEMBL16610509 0.71 GRM2 (0.35) GRM2GRM3
SCHEMBL16610574 0.71 GRM2 (0.35) GRM2GRM3

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 12/4885BTK 4032/4885

“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.