SCHEMBL1674845

SCHEMBL1674845

CC(=O)Cl.CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
CACNA1B Q00975 4/20 0.53
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
CTSS P25774 4/20 0.51
SYK P43405 1/20 0.51
CTSK P43235 3/20 0.49
CASP1 P29466 3/20 0.49
PPARG P37231 2/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
TACR1 P25103 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL1093029 0.95 PPARA (0.58) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL3004720 0.95 PPARA (0.58) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL5033775 0.95 PPARA (0.58) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL14211452 0.89 PPARA (0.57) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL18256446 0.87 PPARA (0.55) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL4370045 0.86 KLK5 (0.65) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL16286010 0.85 CACNA1B (0.59) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL20144655 0.85 CACNA1B (0.59) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL20481004 0.85 CACNA1B (0.59) PPARACACNA1BKLK7KLK5CTSS
SCHEMBL7965696 0.85 PPARA (0.56) PPARACACNA1BKLK7KLK5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143985-A1 ICE-CLEAVED ALPHA-SYNUCLEIN AS A BIOMARKER BRANDEIS UNIVERSITY (US) 2016-05-26 US disclosed
US-9116157-B2 Ice-cleaved alpha-synuclein as a biomarker BRANDEIS UNIVERSITY (US) 2015-08-25 US disclosed
US-20140309172-A1 ICE INHIBITING COMPOUNDS AND USES THEREOF BRANDEIS UNIVERSITY 2014-10-16 US disclosed
US-20130316384-A1 ICE-CLEAVED ALPHA-SYNUCLEIN AS A BIOMARKER BRANDEIS UNIVERSITY 2013-11-28 US disclosed
EP-2635907-A1 ICE CLEAVED ALPHA-SYNUCLEIN A BIOMARKER BRANDEIS UNIVERSITY (US) 2013-09-11 EP disclosed
EP-2635906-A2 ICE INHIBITING COMPOUNDS AND USES THEREOF BRANDEIS UNIVERSITY (US) 2013-09-11 EP disclosed
WO-2012061786-A1 ICE CLEAVED ALPHA-SYNUCLEIN A BIOMARKER BRANDEIS UNIVERSITY (US) 2012-05-10 WO disclosed
WO-2012061785-A2 ICE INHIBITING COMPOUNDS AND USES THEREOF BRANDEIS UNIVERSITY (US) 2012-05-10 WO disclosed
US-20110082096-A1 GENE AND PATHWAY AND THEIR USE IN METHODS AND COMPOSITIONS FOR PREDICTING ONSET OR PROGRESSION OF AUTOIMMUNE AND/OR AUTOINFLAMMATORY DISEASES NIH - DIETR 2011-04-07 US disclosed
US-20090298764-A1 GENE AND PATHWAY AND THEIR USE IN METHODS AND COMPOSITIONS FOR PREDICTING ONSET OR PROGRESSION OF AUTOIMMUNE AND/OR AUTOINFLAMMATORY DISEASES REGENTS OF THE UNIVERSITY OF COLORADO 2009-12-03 US 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 (4 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-20160143985-A1 ICE-CLEAVED ALPHA-SYNUCLEIN AS A BIOMARKER SNCA, BACE2, PYGB PPARA 3997/4885CACNA1B 2283/4885KLK7 3174/4885
US-20110082096-A1 GENE AND PATHWAY AND THEIR USE IN METHODS AND COMPOSITIONS FOR PREDICTING ONSET OR PROGRESSION OF AUTOIMMUNE AND/OR AUTOINFLAMMATORY DISEASES NLRP1, PYCARD, NLRP3 PPARA 2544/4885CACNA1B 371/4885KLK7 2777/4885
US-20140309172-A1 ICE INHIBITING COMPOUNDS AND USES THEREOF CASP1, AIFM1, CASP2 PPARA 3411/4885CACNA1B 768/4885KLK7 4303/4885
US-20090298764-A1 GENE AND PATHWAY AND THEIR USE IN METHODS AND COMPOSITIONS FOR PREDICTING ONSET OR PROGRESSION OF AUTOIMMUNE AND/OR AUTOINFLAMMATORY DISEASES NLRP1, PYCARD, NLRP3 PPARA 2544/4885CACNA1B 371/4885KLK7 2777/4885

“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.