SCHEMBL2894524

SCHEMBL2894524

COC(=O)[C@H](CNC(=O)OC(C)(C)C)NCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CA12 O43570 3/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SYK P43405 1/20 0.38
CAPN1 P07384 1/20 0.38
SERPINE1 P05121 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 1/20 0.37
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL2896274 1.00 CTSS (0.43) CTSSCTSKCTSLCTSBCA12
SCHEMBL13295689 1.00 CTSS (0.43) CTSSCTSKCTSLCTSBCA12
SCHEMBL1503555 0.86 SYK (0.41) CTSSCTSKCTSLCTSBCA12
SCHEMBL14110740 0.83 MEN1 (0.44) CTSSCTSKCTSLCTSBCA12
SCHEMBL6872152 0.82 MEN1 (0.42) CTSSCTSKCTSLCTSBCA12
SCHEMBL20479738 0.82 CTSK (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL20479736 0.82 CTSK (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL10328422 0.82 MEN1 (0.42) CTSSCTSKCTSLCTSBCA12
SCHEMBL5870018 0.82 CTSL (0.50) CTSSCTSKCTSLCTSBCA12
SCHEMBL6563149 0.81 MEN1 (0.50) CTSSCTSKCTSLCTSBMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT CTSS 360/4885CTSK 333/4885CTSL 227/4885

“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.