SCHEMBL9980658

SCHEMBL9980658

C[C@H](NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
CTSS P25774 13/20 0.52
CTSK P43235 12/20 0.52
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CAPN1 P07384 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL9980623 0.92 MEN1 (0.62) KMT2AMEN1GAACTSSCTSK
SCHEMBL16909076 0.91 MEN1 (0.57) KMT2AMEN1GAACTSSCTSK
SCHEMBL8183191 0.91 MEN1 (0.57) KMT2AMEN1GAACTSSCTSK
SCHEMBL18919537 0.87 CTSK (0.64) KMT2AMEN1GAACTSSCTSK
SCHEMBL18919536 0.87 CTSK (0.64) KMT2AMEN1GAACTSSCTSK
SCHEMBL17109074 0.87 CTSK (0.64) KMT2AMEN1GAACTSSCTSK
SCHEMBL18281226 0.86 MEN1 (0.61) KMT2AMEN1GAACTSSCTSK
SCHEMBL2850443 0.86 MEN1 (0.61) KMT2AMEN1GAACTSSCTSK
SCHEMBL1003435 0.86 MEN1 (0.61) KMT2AMEN1GAACTSSCTSK
SCHEMBL33528044 0.86 CTSK (0.49) KMT2AMEN1GAACTSSCTSK

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-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 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-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP KMT2A 3242/4885MEN1 2410/4885GAA 2730/4885

“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.