SCHEMBL5843553

SCHEMBL5843553

N[C@@H](CCCC1CCCCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
GSR P00390 2/20 0.47
SLC1A3 P43003 4/20 0.44
SLC1A2 P43004 4/20 0.44
SLC1A1 P43005 4/20 0.44
ARG2 P78540 4/20 0.43
ARG1 P05089 3/20 0.43
GRIK1 P39086 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 3/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
EPHX1 P07099 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41

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
SCHEMBL5843561 1.00 METAP1 (0.47) METAP1GSRSLC1A3SLC1A2SLC1A1
SCHEMBL18762478 0.98 GSR (0.48) METAP1GSRSLC1A3SLC1A2SLC1A1
SCHEMBL10073275 0.95 GSR (0.50) METAP1GSRSLC1A3SLC1A2SLC1A1
SCHEMBL7868415 0.95 GSR (0.50) METAP1GSRSLC1A3SLC1A2SLC1A1
SCHEMBL23740241 0.95 GSR (0.50) METAP1GSRSLC1A3SLC1A2SLC1A1
SCHEMBL25660405 0.90 GSR (0.52) GSRSLC1A3SLC1A2SLC1A1ARG2
SCHEMBL25661078 0.90 GSR (0.52) GSRSLC1A3SLC1A2SLC1A1ARG2
Trifluoroacetic Acid SCHEMBL18762476 0.90 GSR (0.42) METAP1GSRSLC1A3SLC1A2SLC1A1
SCHEMBL1224024 0.89 METAP1 (0.55) METAP1GSRSLC1A3SLC1A2SLC1A1
SCHEMBL1768565 0.89 METAP1 (0.55) METAP1GSRSLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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 (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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R METAP1 747/4885GSR 4333/4885SLC1A3 3398/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE METAP1 238/4885GSR 2295/4885SLC1A3 2035/4885

“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.