SCHEMBL16610530

SCHEMBL16610530

CC(Cl)OC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.43
EPHX2 P34913 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
NPC1 O15118 1/20 0.36
SLC22A1 O15245 1/20 0.35
LMNA P02545 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
SCHEMBL16731837 0.87 MEN1 (0.49) MEN1KMT2AMAPTEPHX2SMN1; SMN2
SCHEMBL16731574 0.81 MEN1 (0.44) MEN1KMT2AMAPTEPHX2SMN1; SMN2
SCHEMBL1088391 0.78 MEN1 (0.53) MEN1KMT2AMAPTEPHX2SMN1; SMN2
SCHEMBL16610727 0.78 CYP17A1 (0.53) MEN1KMT2AMAPTGAAHTT
SCHEMBL16610640 0.78 CYP17A1 (0.53) MEN1KMT2AMAPTGAAHTT
SCHEMBL16610643 0.78 CYP17A1 (0.53) MEN1KMT2AMAPTGAAHTT
SCHEMBL21466609 0.75 EPHX2 (0.52) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4037135 0.74 MEN1 (0.49) MEN1KMT2AMAPTEPHX2SMN1; SMN2
SCHEMBL7797401 0.73 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2P2RX7
SCHEMBL3318267 0.73 MEN1 (0.56) MEN1KMT2AMAPTEPHX2SMN1; SMN2

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 5 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
CN-104334524-B The prodrug of fluorinated amino acids 大正制药株式会社 2016-10-12 CN 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 MEN1 2462/4885KMT2A 496/4885MAPT 401/4885

“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.