SCHEMBL16790732

SCHEMBL16790732

CC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.62
TDP1 Q9NUW8 2/20 0.53
CTSK P43235 7/20 0.50
CTSS P25774 4/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CAPN1 P07384 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
ATM Q13315 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13702224 0.95 MEN1 (0.56) MEN1KMT2AGAATDP1CTSK
SCHEMBL16790735 0.95 MEN1 (0.56) MEN1KMT2AGAATDP1CTSK
SCHEMBL12156604 0.90 MEN1 (0.53) MEN1KMT2AGAATDP1CTSK
SCHEMBL17898620 0.90 CA1 (0.55) MEN1KMT2AGAATDP1CTSK
SCHEMBL26789986 0.89 MEN1 (0.60) MEN1KMT2AGAATDP1CTSK
SCHEMBL11953247 0.88 CA1 (0.56) MEN1KMT2AGAATDP1CTSK
SCHEMBL15683031 0.88 CA1 (0.53) MEN1KMT2AGAATDP1CTSK
SCHEMBL903957 0.88 MEN1 (0.71) MEN1KMT2AGAATDP1CTSK
SCHEMBL12238298 0.88 MEN1 (0.71) MEN1KMT2AGAATDP1CTSK
SCHEMBL4888105 0.88 MEN1 (0.71) MEN1KMT2AGAATDP1CTSK

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-9783571-B2 Isolation of cysteine containing peptides MARTIN WARHAM LANCE (US) 2017-10-10 US disclosed
US-20150158905-A1 Isolation of Cysteine Containing Peptides MARTIN WARHAM LANCE (US) 2015-06-11 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-20150158905-A1 Isolation of Cysteine Containing Peptides LNPEP, CSTB, CPB1 MEN1 3253/4885KMT2A 4833/4885GAA 2737/4885

“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.