SCHEMBL16790735

SCHEMBL16790735

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 5/20 0.55
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
ATM Q13315 2/20 0.49
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CAPN1 P07384 1/20 0.45
MAPT P10636 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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 1.00 MEN1 (0.56) MEN1KMT2AGAATDP1CA1
SCHEMBL16790732 0.95 MEN1 (0.62) MEN1KMT2AGAATDP1CA1
SCHEMBL17898620 0.94 CA1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL11953247 0.93 CA1 (0.56) MEN1KMT2AGAATDP1CA1
SCHEMBL15683031 0.92 CA1 (0.53) MEN1KMT2AGAATDP1CA1
SCHEMBL19033286 0.90 MEN1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL16152398 0.90 MEN1 (0.55) MEN1KMT2AGAATDP1CA1
SCHEMBL12156604 0.89 MEN1 (0.53) MEN1KMT2AGAATDP1CA1
SCHEMBL21168496 0.88 MAOA (0.57) MEN1KMT2AGAATDP1CA1
SCHEMBL17520227 0.88 CTSK (0.48) MEN1KMT2AGAATDP1CA1

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.