SCHEMBL8523201

SCHEMBL8523201

CC(C)(C)OC(=O)N[C@H](C=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.61
CTSS P25774 6/20 0.61
ATM Q13315 1/20 0.54
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
BCL2 P10415 1/20 0.51
ACE P12821 2/20 0.50
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
MME P08473 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
PTPN1 P18031 1/20 0.47
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL9929938 1.00 CTSK (0.61) CTSKCTSSATMCTSBCTSL
SCHEMBL598263 1.00 CTSK (0.61) CTSKCTSSATMCTSBCTSL
SCHEMBL7094 0.92 ATM (0.62) CTSKCTSSATMCTSBCTSL
SCHEMBL1094506 0.92 ATM (0.62) CTSKCTSSATMCTSBCTSL
SCHEMBL390555 0.92 ATM (0.62) CTSKCTSSATMCTSBCTSL
SCHEMBL16945132 0.89 CTSS (0.60) CTSKCTSSATMCTSBCTSL
SCHEMBL18995190 0.88 CTSK (0.54) CTSKCTSSATMCTSBCTSL
SCHEMBL14274169 0.88 PPARG (0.58) CTSKCTSSATMCTSBCTSL
SCHEMBL1912623 0.87 CTSL (0.50) CTSKCTSSCTSBCTSLACE
SCHEMBL30867 0.85 CTSS (0.59) CTSKCTSSATMCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980833-B2 Tubulysine derivatives R&D-BIOPHARMACEUTICALS GMBH (DE) 2015-03-17 US disclosed
EP-2148886-B1 TUBULYSINE DERIVATIVES R & D BIOPHARMACEUTICALS GMBH (DE) 2014-02-19 EP disclosed
EP-2532673-A2 Tubulysine derivatives R & D Biopharmaceuticals Gmbh (DE) 2012-12-12 EP disclosed
US-20120129779-A1 TUBULYSINE DERIVATIVES R&D-BIOPHARMACEUTICALS GMBH (DE) 2012-05-24 US disclosed
WO-2008138561-A1 TUBULYSINE DERIVATIVES R & D BIOPHARMACEUTICALS GMBH (DE) 2008-11-20 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-20120129779-A1 TUBULYSINE DERIVATIVES GLS, TPX2, HKDC1 CTSK 232/4885CTSS 471/4885ATM 2830/4885

“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.