SCHEMBL463989

SCHEMBL463989

CCCC(N)C(=O)C(=O)N[C@H](C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
ANPEP P15144 2/20 0.39
RNPEP Q9H4A4 2/20 0.39
DNPEP Q9ULA0 1/20 0.39
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC15A1 P46059 1/20 0.36
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GRIK2 Q13002 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL8243468 1.00 MMP1 (0.40) MMP1MMP2MMP3DPP4DPP8
SCHEMBL10261689 1.00 MMP1 (0.40) MMP1MMP2MMP3DPP4DPP8
SCHEMBL463990 0.79 ANPEP (0.40) MMP1MMP2MMP3ANPEPRNPEP
SCHEMBL14943752 0.76 MMP1 (0.39) MMP1MMP2MMP3PKMSMN1; SMN2
SCHEMBL14094810 0.76 DPP7 (0.40) DPP4DPP8DPP9DPP7ANPEP
SCHEMBL16312318 0.75 MMP1 (0.56) MMP1MMP2MMP3PKMSMN1; SMN2
SCHEMBL14094812 0.75 ANPEP (0.46) DPP4DPP8DPP9DPP7ANPEP
SCHEMBL14094811 0.75 ANPEP (0.46) DPP4DPP8DPP9DPP7ANPEP
SCHEMBL15338673 0.74 ANPEP (0.50) MMP1DPP4DPP8DPP9DPP7
SCHEMBL12330155 0.73 ANPEP (0.53) MMP1MMP2MMP3DPP4DPP8

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-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD MMP1 524/4885MMP2 707/4885MMP3 438/4885

“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.