SCHEMBL18159727

SCHEMBL18159727

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
CPB2 Q96IY4 2/20 0.41
DPP7 Q9UHL4 9/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
DPP4 P27487 3/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
RNPEP Q9H4A4 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL10532179 1.00 GSR (0.48) GSRCPB2DPP7DPP8DPP9
SCHEMBL12680192 1.00 GSR (0.48) GSRCPB2DPP7DPP8DPP9
SCHEMBL12420397 0.94 GSR (0.57) GSRCPB2DPP7DPP8DPP9
SCHEMBL12825493 0.94 GSR (0.57) GSRCPB2DPP7DPP8DPP9
SCHEMBL13301966 0.94 GSR (0.57) GSRCPB2DPP7DPP8DPP9
SCHEMBL10533308 0.92 GSR (0.55) GSRCPB2DPP7DPP8DPP9
SCHEMBL10110827 0.86 DPP7 (0.40) GSRDPP7DPP8DPP9DPP4
SCHEMBL18159724 0.86 DPP7 (0.40) GSRDPP7DPP8DPP9DPP4
SCHEMBL12680193 0.86 DPP7 (0.40) GSRDPP7DPP8DPP9DPP4
SCHEMBL24004617 0.83 SLC1A2 (0.50) DPP7DPP8DPP9DPP4SLC1A3

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-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
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 (3 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 GSR 4023/4885CPB2 1340/4885DPP7 471/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 GSR 4023/4885CPB2 1340/4885DPP7 471/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 GSR 4023/4885CPB2 1340/4885DPP7 471/4885

“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.