SCHEMBL18159724

SCHEMBL18159724

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.40
GABRR1 P24046 2/20 0.39
RRM1 P23921 1/20 0.39
GSR P00390 1/20 0.37
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
SLC1A3 P43003 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 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
SCHEMBL10110827 1.00 DPP7 (0.40) DPP7GABRR1RRM1GSRDPP8
SCHEMBL12680193 1.00 DPP7 (0.40) DPP7GABRR1RRM1GSRDPP8
SCHEMBL12680192 0.86 GSR (0.48) DPP7GSRDPP8DPP9DPP4
SCHEMBL18159727 0.86 GSR (0.48) DPP7GSRDPP8DPP9DPP4
SCHEMBL10532179 0.86 GSR (0.48) DPP7GSRDPP8DPP9DPP4
SCHEMBL13301966 0.85 GSR (0.57) DPP7GSRDPP8DPP9DPP4
SCHEMBL12420397 0.85 GSR (0.57) DPP7GSRDPP8DPP9DPP4
SCHEMBL12825493 0.85 GSR (0.57) DPP7GSRDPP8DPP9DPP4
SCHEMBL10533308 0.83 GSR (0.55) DPP7GSRDPP8DPP9DPP4
SCHEMBL23376611 0.81 SLC1A2 (0.42) DPP7DPP8DPP9DPP4SLC1A2

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-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 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-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 DPP7 471/4885GABRR1 2211/4885RRM1 3884/4885

“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.