SCHEMBL4888653

SCHEMBL4888653

CC(C)(C)OC(=O)NC(CC(=O)N1Cc2ccccc2CC1C(=O)NCc1ccc(CC(=O)O)cc1)Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CXCR3 P49682 10/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
SCN9A Q15858 5/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL4888640 1.00 TDP1 (0.52) TDP1CXCR3CTSSCTSKHDAC8
SCHEMBL8294401 0.95 TDP1 (0.56) TDP1CXCR3CTSSCTSKHDAC8
SCHEMBL6298469 0.95 TDP1 (0.56) TDP1CXCR3CTSSCTSKHDAC8
SCHEMBL5223869 0.88 CFD (0.42) TDP1CTSSCTSKSCN9A
SCHEMBL5223880 0.88 CFD (0.42) TDP1CTSSCTSKSCN9A
SCHEMBL8294728 0.86 TDP1 (0.48) TDP1CXCR3CTSSCTSKSCN9A
SCHEMBL6253225 0.86 TDP1 (0.48) TDP1CXCR3CTSSCTSKSCN9A
SCHEMBL8293690 0.85 TDP1 (0.52) TDP1CXCR3CTSSCTSKSCN9A
SCHEMBL4886578 0.84 TDP1 (0.55) TDP1
SCHEMBL1072034 0.84 TDP1 (0.55) TDP1

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 1568/4885CXCR3 2950/4885CTSS 1879/4885

“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.