SCHEMBL4895392

SCHEMBL4895392

N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(CC(=O)OC(=O)C(F)(F)F)cc1)Cc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
DPP4 P27487 17/20 0.43
KCNH2 Q12809 4/20 0.43
FAP Q12884 3/20 0.43
PREP P48147 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CXCR3 P49682 2/20 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
Trifluoroacetic Acid SCHEMBL4895383 0.89 TDP1 (0.51) TDP1DPP4KCNH2FAPPREP
SCHEMBL4886585 0.88 TDP1 (0.55) TDP1DPP4KCNH2FAPDPP9
SCHEMBL4886578 0.88 TDP1 (0.55) TDP1DPP4KCNH2FAPDPP9
SCHEMBL1072034 0.88 TDP1 (0.55) TDP1DPP4KCNH2FAPDPP9
SCHEMBL6242373 0.86 TDP1 (0.59) TDP1DPP4KCNH2FAPDPP9
SCHEMBL8294408 0.84 TDP1 (0.68) TDP1DPP4DPP9
SCHEMBL8293188 0.82 TDP1 (0.55) TDP1DPP4DPP9
SCHEMBL8294714 0.81 TDP1 (0.55) TDP1DPP4KCNH2FAP
SCHEMBL8293194 0.81 TDP1 (0.55) TDP1DPP4CXCR3
SCHEMBL8293187 0.79 TDP1 (0.54) TDP1DPP4

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-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 TDP1 1568/4885DPP4 1/4885KCNH2 3319/4885

“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.