SCHEMBL1300474

SCHEMBL1300474

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)OCc3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.44
NPY4R P50391 12/20 0.44
NPY1R P25929 8/20 0.44
NPY5R Q15761 8/20 0.43
NPY2R P49146 5/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL5523268 0.94 SIRT5 (0.53) SIRT5TDP1RAB9ANPY4RNPY1R
SCHEMBL29417414 0.94 SIRT5 (0.53) SIRT5TDP1RAB9ANPY4RNPY1R
SCHEMBL29577662 0.94 SIRT5 (0.53) SIRT5TDP1RAB9ANPY4RNPY1R
SCHEMBL6856707 0.94 SIRT5 (0.49) SIRT5TDP1RAB9ANPY4RNPY1R
Hydrochloric Acid SCHEMBL29692733 0.94 SIRT5 (0.52) SIRT5TDP1RAB9ANPY4RNPY1R
SCHEMBL31045936 0.91 SIRT5 (0.52) SIRT5TDP1NPY4RNPY1R
SCHEMBL4727432 0.90 SIRT2 (0.49) SIRT5TDP1RAB9A
SCHEMBL4076285 0.90 SIRT2 (0.49) SIRT5TDP1RAB9A
SCHEMBL29357392 0.90 SIRT2 (0.49) SIRT5TDP1RAB9A
SCHEMBL1301778 0.89 TDP1 (0.49) SIRT5TDP1RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269162-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING FOR DIAGNOSIS OF CHRONIC LIVER DISEASE QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-11-03 US disclosed
WO-2011069009-A1 POLYUBIQUITIN LEVELS AS A PROGNOSTIC INDICATOR IN LEUKEMIA QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2011-06-09 WO disclosed
WO-2011028488-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR PROLIFERATIVE HEMATOLOGICAL DISORDERS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2011-03-10 WO disclosed
WO-2011028489-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR CANCER DIAGNOSIS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2011-03-10 WO disclosed
US-20110053198-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR PROLIFERATIVE HEMATOLOGICAL DISORDERS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-03-03 US disclosed
US-20110053197-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR CANCER DIAGNOSIS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-03-03 US disclosed
US-20110053199-A1 UBIQUITIN PROTEASOME SYSTEM PROFILING AND THE USE THEREOF IN CLINICAL APPLICATIONS FOR CANCER DIAGNOSIS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-03-03 US disclosed
US-20080118940-A1 PROTEASOMAL PEPTIDASE ACTIVITY AND THE USE THEREOF IN CLINICAL APPLICATIONS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2008-05-22 US disclosed
EP-1123412-B1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION MILLENNIUM PHARM INC (US) 2004-10-06 EP disclosed
US-6613541-B1 Pharmacology; bioassay; proteolysis; enzyme inhibitors; use to provide guidance for selecting dose amount and dose frequency of proteasome inhibitors for treatment of cancer, inflammatory and autoimmune diseases MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-20010051654-A1 Treatment of inflammatory and autoimmune diseases ELLIOTT PETER J (US) 2001-12-13 US disclosed
EP-1123412-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION Millennium Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
WO-2000023614-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-04-27 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-20010051654-A1 Treatment of inflammatory and autoimmune diseases NFKBIA, IKBKG, PSMB1 SIRT5 2419/4885TDP1 3353/4885RAB9A 3480/4885

“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.