SCHEMBL212151

SCHEMBL212151

CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NC(=N)NCCCCN

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.60
CTSB P07858 3/20 0.60
CTSL P07711 3/20 0.60
CTSK P43235 2/20 0.60
CAPN9 O14815 2/20 0.60
MAPK1 P28482 2/20 0.60
LMNA P02545 2/20 0.60
CTSH P09668 1/20 0.60
CTSS P25774 1/20 0.60
CTSC P53634 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
USP2 O75604 1/20 0.60
MAPT P10636 1/20 0.60
BLM P54132 1/20 0.60
CTSG P08311 1/20 0.43

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
SCHEMBL11067480 0.89 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
SCHEMBL11184932 0.88 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCAPN9
SCHEMBL11188762 0.88 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCAPN9
Agmatine SCHEMBL18784085 0.84 CAPN1 (0.59) CAPN1CTSBCTSLCTSKCAPN9
SCHEMBL30643189 0.83 CAPN1 (0.69) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL23132676 0.82 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL4740187 0.82 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL13283063 0.82 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL16452857 0.82 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9
E-64 SCHEMBL7087294 0.82 CAPN1 (0.74) CAPN1CTSBCTSLCTSKCAPN9

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045017-A2 SARS AND EBOLA INHIBITORS AND USE THEREOF, AND METHODS FOR THEIR DISCOVERY DIAMOND SCOTT L (US) 2008-04-17 WO claimed
US-20070203073-A1 SARS and Ebola inhibitors and use thereof, and methods for their discovery DIAMOND SCOTT L 2007-08-30 US claimed
US-5560937-A EXTRACTION WITH AQUEOUS BUFFER CONTAINING PROTEASE INHIBITORS, SEPARATION BY AFFINITY CHROMATOGRAPHY, DESORPTION SPECTRAL DIAGNOSTICS, INC. (CA) 1996-10-01 US claimed
EP-0641858-A1 SERUM CALCIUM DEPRESSING FACTOR Chugai Seiyaku Kabushiki Kaisha (JP) 1995-03-08 EP claimed
JP-55145678-A None JP disclosed
EP-2690178-B1 Targeted glycosaminoglycan polymers by polymer grafting and methods of making and using same UNIV OKLAHOMA (US) 2021-12-22 EP disclosed
US-10273517-B2 Methods of producing testosteronan polymers using testosteronan synthase THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-04-30 US disclosed
US-20170247732-A1 Methods of Producing Testosteronan Polymers Using Testosteronan Synthase UNIV OKLAHOMA (US) 2017-08-31 US disclosed
US-9695427-B2 Methods of producing testosteronan polymers using testosteronan synthase THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-07-04 US disclosed
US-20160053290-A1 Production of Defined Monodisperse Heparosan Polymers and Unnatural Polymers with Polysaccharide Synthases THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2016-02-25 US disclosed
US-9200024-B2 Production of defined monodisperse heparosan polymers and unnatural polymers with polysaccharide synthases THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-12-01 US disclosed
US-20140154753-A1 TESTOSTERONAN, A NOVEL HEPAROSAN ANALOG, TESTOSTERONAN SYNTHASE, AND METHODS OF PRODUCTION AND USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2014-06-05 US disclosed
EP-0555479-A1 EPOXYSUCCINAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-08-18 EP disclosed
EP-0533913-A1 NOVEL ENDOPEPTIDASE THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 1993-03-31 EP disclosed
WO-1992018516-A1 NOVEL ENDOPEPTIDASE THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 1992-10-29 WO disclosed
US-5068354-A Cathepsin B inhibitors, enzyme inhibitors for muscular disorders TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed
EP-0407017-A1 Epoxysuccinic acid derivatives useful as specific inhibitors of cathepsin B TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-01-09 EP disclosed
US-4474800-A PROTEASE INHIBITORS, MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-10-02 US disclosed
US-4418075-A INHIBITING CALCIUM ACTIVATED NEUTRALTHIOL PROTEASE, MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-11-29 US disclosed
JP-S55145678-A PREPARATION OF EPOXYSUCCINYLLEUCYLAGMATINE TAISHO PHARMACEUT CO LTD 1980-11-13 JP 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-20070203073-A1 SARS and Ebola inhibitors and use thereof, and methods for their discovery CTSL, CTSV, CTSZ CAPN1 253/4885CTSB 5/4885CTSL 1/4885

“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.