SCHEMBL5644308

SCHEMBL5644308

CC(C)(C)OC(=O)N1CCC(O)C(NC(=O)C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP30 Q70CQ3 3/20 0.39
STS P08842 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL2192233 0.88 USP30 (0.43) EPHX1HPGDUSP30USP2SMN1; SMN2
SCHEMBL25916786 0.85 EPHX1 (0.46) EPHX1HPGDRECQLPTPN2PTPN1
SCHEMBL12280117 0.85 EPHX1 (0.46) EPHX1HPGDRECQLPTPN2PTPN1
SCHEMBL25322431 0.85 EPHX1 (0.46) EPHX1HPGDRECQLPTPN2PTPN1
SCHEMBL25321057 0.85 EPHX1 (0.46) EPHX1HPGDRECQLPTPN2PTPN1
SCHEMBL27638306 0.85 HSD11B1 (0.48) EPHX1HPGDRECQLPTPN2PTPN1
SCHEMBL4721171 0.84 EPHX1 (0.47) EPHX1HPGDRECQLPTPN2PTPN1
SCHEMBL24817359 0.82 EPHX1 (0.55) EPHX1HDAC4HDAC6USP30ALDH1A1
SCHEMBL6865392 0.82 EPHX1 (0.55) EPHX1HDAC4HDAC6USP30ALDH1A1
SCHEMBL1457410 0.82 EPHX1 (0.55) EPHX1HDAC4HDAC6USP30ALDH1A1

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-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 EPHX1 1906/4885HPGD 1852/4885RECQL 3656/4885

“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.