SCHEMBL179967

SCHEMBL179967

CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CSSC[C@H](NS(=O)(=O)c3cccc4c(N(C)C)cccc34)C(=O)O)C(=O)O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.52
F2 P00734 2/20 0.52
EDNRA P25101 1/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13897354 1.00 TYMS (0.52) TYMSF2EDNRAPRSS1PRSS2
SCHEMBL179968 1.00 TYMS (0.52) TYMSF2EDNRAPRSS1PRSS2
SCHEMBL14178928 0.93 TYMS (0.52) TYMSF2EDNRAPRSS1PRSS2
SCHEMBL20645012 0.92 TYMS (0.47) TYMSF2EDNRA
SCHEMBL5706271 0.88 TYMS (0.54) TYMSF2EDNRAPRSS1PRSS2
SCHEMBL6266410 0.88 TYMS (0.54) TYMSF2EDNRAPRSS1PRSS2
SCHEMBL4134777 0.87 LMNA (0.57) TYMSF2
SCHEMBL4134778 0.87 LMNA (0.57) TYMSF2
SCHEMBL180019 0.87 TYMS (0.53) TYMSF2EDNRAPRSS1PRSS2
SCHEMBL13884437 0.87 TYMS (0.53) TYMSF2EDNRAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149332-A1 METHODS FOR DETERMINING THE ACTIVITY OF ADAM-TS PROTEASES USING THIOPEPTOLIDES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-11 US claimed
US-20040082499-A1 Perturbed membrane-binding compounds APOSENSE LTD. (IL) 2004-04-29 US claimed
US-5286286-A Containing diethylene glycol monobutyl ether, glycerol, and a dansyl or porphyrin chromophores XEROX CORPORATION (US) 1994-02-15 US claimed
US-10888622-B2 Nanocomplexes of modified peptides or proteins TRUSTEES OF TUFTS COLLEGE (US) 2021-01-12 US disclosed
US-10301413-B2 Mixed charge copolymers and hydrogels UNIVERSITY OF WASHINGTON (US) 2019-05-28 US disclosed
US-10201174-B2 Process for reducing contaminating Michael acceptor levels in oxycodone and other compositions CONTROLLED CHEMICALS, INC. (US) 2019-02-12 US disclosed
EP-2424573-B1 LABELED MOLECULAR IMAGING AGENTS, METHODS OF MAKING AND METHODS OF USE GEN ELECTRIC (US) 2019-01-16 EP disclosed
EP-2069412-B1 MIXED CHARGE COPOLYMERS AND HYDROGELS UNIV WASHINGTON (US) 2019-01-02 EP disclosed
US-20170027199-A1 PROCESS FOR REDUCING CONTAMINATING MICHAEL ACCEPTOR LEVELS IN OXYCODONE AND OTHER COMPOSITIONS CONTROLLED CHEMICALS, INC. (US) 2017-02-02 US disclosed
US-9403838-B2 Process for reducing contaminating Michael acceptor levels in oxycodone and other compositions CONTROLLED CHEMICALS, INC. (US) 2016-08-02 US disclosed
US-20160129120-A1 NANOCOMPLEXES OF MODIFIED PEPTIDES OR PROTEINS TRUSTEES OF TUFTS COLLEGE 2016-05-12 US disclosed
US-20070149559-A1 composition is treated with a thiol-containing compound under conditions sufficient to remove Michael acceptors such as 14-hydroxycodeinone CONTROLLED CHEMICALS, INC. (US) 2007-06-28 US disclosed
WO-2007062184-A2 PROCESSES FOR REDUCING CONTAMINATING MICHAEL ACCEPTOR LEVELS IN OXYCODONE AND OTHER COMPOSITIONS CONTROLLED CHEMICALS, INC. (US) 2007-05-31 WO disclosed
US-7195913-B2 Randomly ordered arrays and methods of making and using SURMODICS, INC. (US) 2007-03-27 US disclosed
US-20040082499-A1 Perturbed membrane-binding compounds APOSENSE LTD. (IL) 2004-04-29 US disclosed
EP-1401420-A2 PERTURBED MEMBRANE-BINDING COMPOUNDS NST Neurosurvival Technologies Ltd. (IL) 2004-03-31 EP disclosed
US-20030099949-A1 Arrays having clustered arrangements and methods of making and using SURMODICS, INC. 2003-05-29 US disclosed
US-20030073086-A1 Randomly ordered arrays and methods of making and using SURMODICS, INC. 2003-04-17 US disclosed
WO-2002046147-A2 PERTURBED MEMBRANE-BINDING COMPOUNDS NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2002-06-13 WO disclosed
US-5952173-A QUANTITATIVE OR QUALITATIVE ANALYSIS USING ANALYTICAL DEVICE FOR FLUID FLOW OF MICROVOLUMES; TEST SAMPLE IS TRANSPORTED THROUGH CHANNELS TO STRUCTURES ON BASE LAYER WITH IMMOBILIZED REAGENT CAPABLE OF BINDING ANALYTE, DETECTING BINDING SIGNAL ABBOTT LABORATORIES (US) 1999-09-14 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 (6 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-20160129120-A1 NANOCOMPLEXES OF MODIFIED PEPTIDES OR PROTEINS LNPEP, ACP1, CRYAA TYMS 4855/4885F2 1295/4885EDNRA 1264/4885
US-20170027199-A1 PROCESS FOR REDUCING CONTAMINATING MICHAEL ACCEPTOR LEVELS IN OXYCODONE AND OTHER COMPOSITIONS OPRK1, OPRD1, OPRL1 TYMS 1686/4885F2 3637/4885EDNRA 1528/4885
US-10201174-B2 Process for reducing contaminating Michael acceptor levels in oxycodone and other compositions OPRK1, OPRD1, OPRL1 TYMS 1686/4885F2 3637/4885EDNRA 1528/4885
US-20070149559-A1 composition is treated with a thiol-containing compound under conditions sufficient to remove Michael acceptors such as 14-hydroxycodeinone SQOR, SHMT2, ALOX15B TYMS 982/4885F2 2738/4885EDNRA 1687/4885
US-10888622-B2 Nanocomplexes of modified peptides or proteins LNPEP, ACP1, CRYAA TYMS 4855/4885F2 1295/4885EDNRA 1264/4885
US-20040082499-A1 Perturbed membrane-binding compounds PEBP1, VAPB, MBOAT1 TYMS 3275/4885F2 3905/4885EDNRA 4545/4885

“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.