SCHEMBL4721171

SCHEMBL4721171

CC(C)(C)OC(=O)N1CCC(O)C(NC(=O)C2CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.44
KMT2A Q03164 2/20 0.43
USP30 Q70CQ3 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 2/20 0.42
STS P08842 5/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL16210105 0.89 EPHX1 (0.47) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL16210107 0.89 EPHX1 (0.47) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL4720139 0.89 EPHX1 (0.47) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL27638306 0.87 HSD11B1 (0.48) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL20121454 0.84 EPHX1 (0.47) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL31084556 0.84 EPHX1 (0.47) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL5644308 0.84 EPHX1 (0.45) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL23150504 0.83 EPHX1 (0.44) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL29068374 0.83 EPHX1 (0.44) EPHX1PTPN2PTPN1PTPN6HPGD
SCHEMBL23150505 0.83 EPHX1 (0.44) EPHX1PTPN2PTPN1PTPN6HPGD

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-1589969-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-08-13 EP disclosed
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
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 WO 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 1906/4885PTPN2 1943/4885PTPN1 2222/4885

“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.