SCHEMBL1036136

SCHEMBL1036136

CC(C)[C@@H](C=O)NC(=O)CN

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.35
PAX8 Q06710 1/20 0.32
ACACB O00763 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL20197913 0.81 CYP2C9 (0.43) CTSK
SCHEMBL16565974 0.80 SLC6A5 (0.42)
SCHEMBL20623769 0.80 SLC6A5 (0.42)
SCHEMBL16862487 0.79 ASAH1 (0.33) CTSK
SCHEMBL1036615 0.78
SCHEMBL24366099 0.78 ACACB (0.32) ACACB
SCHEMBL8587141 0.76 NPC1 (0.34) PAX8
SCHEMBL14623137 0.75 DPP9 (0.41) PAX8
SCHEMBL16949477 0.75 MEN1 (0.30)
SCHEMBL23191651 0.73 ALDH1A1 (0.32) CTSK

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
EP-3464277-B1 PEGYLATED CARFILZOMIB COMPOUNDS AMGEN INC (US) 2022-12-28 EP disclosed
EP-2277884-B1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2017-08-23 EP disclosed
US-9115165-B2 Tetracyclic anthraquinone antibiotic derivatives with high activity, process for preparing the same and use thereof TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-08-25 US disclosed
US-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2011-09-15 US disclosed
EP-2277884-A1 ANTHRACYCLINE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-01-26 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-20110224161-A1 TETRACYCLIC ANTHRAQUINONE ANTIBIOTIC DERIVATIVES WITH HIGH ACTIVITY, PROCESS FOR PREPARING THE SAME AND USE THEREOF DHPS, TBCA, ANTXR2 CTSC 1992/4885PAX8 4236/4885ACACB 829/4885

“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.