SCHEMBL10280928

SCHEMBL10280928

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.45
CA2 P00918 5/20 0.45
SLC15A1 P46059 1/20 0.43
DPP7 Q9UHL4 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
FDPS P14324 1/20 0.39
METAP1 P53582 1/20 0.39
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPK1 P28482 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL8773200 0.81 CA1 (0.47) CA1CA2SLC15A1DPP7DPP8
SCHEMBL7174157 0.81 CA2 (0.57) CA1CA2SLC15A1DPP7DPP8
SCHEMBL3286382 0.78 CA1 (0.52) CA1CA2SLC15A1FDPSMAPK1
SCHEMBL12196153 0.78
SCHEMBL276837 0.78
SCHEMBL24810663 0.78 CA1 (0.33) CA1CA2DPP8DPP4DPP9
SCHEMBL19004774 0.78 CA1 (0.52) CA1CA2SLC15A1FDPSMAPK1
SCHEMBL8194495 0.78
SCHEMBL3099302 0.76 CA1 (0.50) CA1FDPSMAPK1LTA4H
SCHEMBL2526282 0.76 CA1 (0.50) CA1CA2SLC15A1FDPSMAPK1

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-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 US disclosed
WO-2012021796-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL, INC. (US) 2012-02-16 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 (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-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 CA1 2992/4885CA2 1103/4885SLC15A1 773/4885

“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.