SCHEMBL5870018

SCHEMBL5870018

COC(=O)C(CNC(=O)OC(C)(C)C)NC(CC(C)C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CAPN1 P07384 1/20 0.44
AAK1 Q2M2I8 2/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL14110740 0.91 MEN1 (0.44) CTSLCTSBCTSSCTSKCA12
SCHEMBL8248462 0.86 MEN1 (0.46) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL5870246 0.86 MEN1 (0.46) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL5870258 0.86 MEN1 (0.46) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL5870253 0.86 MEN1 (0.46) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL10705796 0.85 SYK (0.54) CTSLCTSBCTSSCTSKPSEN1
SCHEMBL24130602 0.85 CTSL (0.60) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL2894524 0.82 CTSS (0.43) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL2896274 0.82 CTSS (0.43) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL13295689 0.82 CTSS (0.43) CTSLCTSBCTSSCTSKCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CTSL 911/4885CTSB 438/4885CTSS 751/4885

“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.