SCHEMBL13232004

SCHEMBL13232004

CC(NC(=O)C(N)CCCN)C(=O)NC(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 6/20 0.44
▸ DPP8 Q6V1X1 5/20 0.44
▸ DPP9 Q86TI2 5/20 0.44
▸ DPP4 P27487 2/20 0.44
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ METAP2 P50579 2/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC15A1 P46059 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BIRC2 Q13490 1/20 0.33
▸ GSR P00390 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NOS1 P29475 1/20 0.33

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
SCHEMBL13232005 0.96 DPP8 (0.45) DPP7DPP8DPP9DPP4GNAI3
SCHEMBL30064530 0.93 DPP8 (0.47) DPP7DPP8DPP9DPP4GNAI3
SCHEMBL24833967 0.86 DPP7 (0.50) DPP7DPP8DPP9DPP4METAP2
SCHEMBL24833949 0.82 DPP8 (0.44) DPP7DPP8DPP9DPP4METAP2
SCHEMBL13232023 0.82 NPY4R (0.43) DPP7NPSR1MAPTTDP1MEN1
SCHEMBL10625373 0.79 DPP8 (0.50) DPP7DPP8DPP9DPP4GNAI3
SCHEMBL30064548 0.79 METAP2 (0.51) METAP2METAP1NOS1
SCHEMBL29233299 0.79 SLC1A1 (0.40) DPP8DPP9DPP4METAP2METAP1
SCHEMBL29233297 0.79 SLC1A1 (0.40) DPP8DPP9DPP4METAP2METAP1
SCHEMBL30410094 0.79 SLC1A1 (0.40) DPP8DPP9DPP4METAP2METAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 — — 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 DPP7 713/4885DPP8 628/4885DPP9 986/4885

“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.

Send feedback