SCHEMBL20713616

SCHEMBL20713616

CNC(=O)C(CCC(N)=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
BMP1 P13497 1/20 0.40
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MMP1 P03956 4/20 0.31
MMP2 P08253 4/20 0.31
MMP3 P08254 3/20 0.31

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
SCHEMBL20713758 0.79 DPP4 (0.49) ECE1DPP4DPP8DPP9BMP1
SCHEMBL23870286 0.79 ALOX15 (0.43) ECE1DPP4DPP8DPP9KMT2A
SCHEMBL14803503 0.77 ALOX15 (0.52) ECE1DPP4DPP8DPP9KMT2A
SCHEMBL10037179 0.77 ALOX15 (0.52) ECE1DPP4DPP8DPP9KMT2A
SCHEMBL24655789 0.77 MMP2 (0.37) CA1CA2CA7CA14MMP1
SCHEMBL13501731 0.77 CA1 (0.49) CA1CA2CA7CA14MMP1
SCHEMBL18638424 0.77 CA1 (0.49) CA1CA2CA7CA14MMP1
SCHEMBL18664500 0.77 CA1 (0.49) CA1CA2CA7CA14MMP1
SCHEMBL85696 0.75 DPP4 (0.58) DPP4DPP8DPP9BMP1KMT2A
SCHEMBL5325523 0.75 DPP4 (0.58) DPP4DPP8DPP9BMP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 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 (2 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 ECE1 51/4885DPP4 649/4885DPP8 427/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 ECE1 51/4885DPP4 649/4885DPP8 427/4885

“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.