SCHEMBL1384458

SCHEMBL1384458

CCCCCOC(=O)N=C=S

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HCAR2 Q8TDS4 2/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL11881936 0.98 NAAA (0.50) NAAAEPHX1CA12CA1CA2
SCHEMBL11879157 0.98 NAAA (0.50) NAAAEPHX1CA12CA1CA2
SCHEMBL4425079 0.94 ALDH1A1 (0.48) NAAAEPHX1CA12CA1CA2
SCHEMBL6136741 0.86
SCHEMBL5821261 0.82 NAAA (0.48) NAAAEPHX1CA12CA1CA2
SCHEMBL6161876 0.81 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL10451499 0.81 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL6161948 0.81 NAAA (0.52) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL8753101 0.79 TSHR (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL42860 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838146-B2 2011-12-14 JP claimed
CN-1898245-B Process for preparing triazolopyrimidines DOW AGROSCIENCES LLC 2011-07-20 CN claimed
US-7781582-B2 Process for the preparation of 2-amino-[1,2,4]triazolo[1,5-a]pyrimidines DOW AGROSCIENCES LLC (US) 2010-08-24 US claimed
EP-2117718-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2009-11-18 EP claimed
WO-2008097707-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2008-08-14 WO claimed
EP-1699794-B1 PROCESS FOR THE PREPARATION OF TRIAZOLOPYRIMIDINES DOW AGROSCIENCES LLC (US) 2008-01-02 EP claimed
US-20070238873-A1 Process for the Preparation of Triazolopyrimidines CORTEVA AGRISCIENCE LLC 2007-10-11 US claimed
CN-1898245-A Process for preparing triazolopyrimidines DOW AGROSCIENCES LLC (US) 2007-01-17 CN claimed
EP-1699794-A1 PROCESS FOR THE PREPARATION OF TRIAZOLOPYRIMIDINES Dow AgroSciences LLC (US) 2006-09-13 EP claimed
EP-1059289-B1 Process for manufacture of N-alk(en)oxy(or aryloxy)carbonyl isothiocyanates and their derivatives in the presence of N,N-dialkylarylamine catalyst BAYER AG (US) 2005-07-27 EP claimed
WO-2005063753-A1 PROCESS FOR THE PREPARATION OF TRIAZOLOPYRIMIDINES DOW AGROSCIENCES LLC (US) 2005-07-14 WO claimed
EP-2117718-B1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECH CORP (US) 2017-05-10 EP disclosed
CN-101605608-B Dithiocarbamate collectors and their use in mineral processing CYTEC TECH CORP 2014-03-12 CN disclosed
US-8376142-B2 Dithiocarbamate collectors and their use in the beneficiation of mineral ore bodies CYTEC TECHNOLOGY CORP. (US) 2013-02-19 US disclosed
CN-1898245-B Process for preparing triazolopyrimidines DOW AGROSCIENCES LLC 2011-07-20 CN disclosed
US-20040259864-A1 Substituted pyrimidinone derivatives as ligands of integrin receptors ABBOTT GMBH & CO. KG (DE) 2004-12-23 US disclosed
US-20030171368-A1 Pyrimidinonesulfamoylureas` SEITZ WERNER (DE) 2003-09-11 US disclosed
WO-2003066624-A1 PYRIMIDINONESULFAMOYLUREAS AS INTEGRIN LIGANDS ABBOTT GMBH & CO. KG (DE) 2003-08-14 WO disclosed
EP-1059289-A1 Process for manufacture of N-alk(en)oxy(or aryloxy)carbonyl isothiocyanates and their derivatives in the presence of N,N-dialkylarylamine catalyst Bayer Corporation (US) 2000-12-13 EP disclosed
US-5194673-A Reacting haloformate and alkali- or alkaline alkaline earth metal thiocyanate in presence of water and catalysts AMERICAN CYANAMID COMPANY (US) 1993-03-16 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 (3 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-20070238873-A1 Process for the Preparation of Triazolopyrimidines NUDT1, ABL1, DPYD NAAA 2048/4885EPHX1 3737/4885CA12 3940/4885
US-20040259864-A1 Substituted pyrimidinone derivatives as ligands of integrin receptors ITGB3, ITGA5, ITGB5 NAAA 4550/4885EPHX1 2118/4885CA12 4850/4885
US-20030171368-A1 Pyrimidinonesulfamoylureas` ITGB1, ITGA1, ITGAM NAAA 4802/4885EPHX1 786/4885CA12 4454/4885

“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.