Ethylisothiourea

Ethylisothiourea

SCHEMBL4409267

CCSC(=N)N.O=S(=O)(O)O

nearest known ligand 0.75

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Ethylisothiourea. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.75
NOS1 P29475 5/20 0.75
NOS3 P29474 4/20 0.75
NOS2 P35228 4/20 0.75
CYP1A2 P05177 4/20 0.75
CYP2D6 P10635 2/20 0.75
TSHR P16473 2/20 0.75
TDP1 Q9NUW8 3/20 0.71
BLM P54132 2/20 0.71
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 3/20 0.52
HRH4 Q9H3N8 2/20 0.43
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 2/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 1/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Ethylisothiourea SCHEMBL11693925 0.89 NOS1 (0.65) CYP2C19NOS1NOS3NOS2CYP1A2
Ethylisothiourea SCHEMBL160501 0.87
Ethylisothiourea SCHEMBL2916536 0.84
Ethylisothiourea SCHEMBL18169 0.84
Ethylisothiourea SCHEMBL6837679 0.84
Ethylisothiourea SCHEMBL16322930 0.81
Ethylisothiourea SCHEMBL7418298 0.81
Sulfuric Acid SCHEMBL11698488 0.81 NOS1 (0.77) CYP2C19NOS1NOS3NOS2CYP1A2
Ethylisothiourea SCHEMBL2787239 0.80 NOS1 (0.75) CYP2C19NOS1NOS3NOS2CYP1A2
Ethylisothiourea SCHEMBL31563742 0.75 NOS1 (0.75) CYP2C19NOS1NOS3NOS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462497-A Pyridopyrimidinone Process for the preparation of compounds 上海皓元医药股份有限公司 2025-02-18 CN claimed
US-20040220242-A1 Inhibitors of serine protease activity, methods and compositions for treatment of nitric oxide induced clinical conditions BIO HOLDING, INC. 2004-11-04 US claimed
US-20040220113-A1 Inhibitors of serine protease activity methods and compositions for treatment of nitric oxide-induced clinical conditions BIO HOLDING, INC. 2004-11-04 US claimed
CN-119896762-A Process monitoring device 舒万诺知识产权公司 2025-04-29 CN disclosed
CN-119462497-A Pyridopyrimidinone Process for the preparation of compounds 上海皓元医药股份有限公司 2025-02-18 CN disclosed
US-20240024518-A1 CONTRAST AGENT AND PRECURSOR AND MANUFACTURING METHOD THEREOF INSTITUTE OF NUCLEAR ENERGY RESEARCH, ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2024-01-25 US disclosed
US-11596704-B2 Process monitoring device 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-03-07 US disclosed
US-10792383-B2 Method of disinfecting a medical device 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-10-06 US disclosed
EP-3551237-A1 PROCESS MONITORING DEVICE 3M Innovative Properties Company (US) 2019-10-16 EP disclosed
US-20190105416-A1 METHOD OF DISINFECTING A MEDICAL DEVICE 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-04-11 US disclosed
EP-3461811-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M Innovative Properties Co. (US) 2019-04-03 EP disclosed
US-20160096802-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-04-07 US disclosed
WO-2014204763-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-12-24 WO disclosed
US-20090298747-A1 Methods and Compositions For Treatment of Nitric Oxide-Induced Clinical Conditions BIO HOLDING, INC. (US) 2009-12-03 US disclosed
US-20070224671-A1 Inhibitors of serine protease activity methods and compositions for treatment of nitric oxide-induced clinical conditions BIO HOLDING, INC. 2007-09-27 US disclosed
US-20040220239-A1 Inhibitors of serine protease activity methods and compositions for treatment of nitric oxide-induced clinical conditions BIO HOLDING, INC. 2004-11-04 US disclosed
US-20040220242-A1 Inhibitors of serine protease activity, methods and compositions for treatment of nitric oxide induced clinical conditions BIO HOLDING, INC. 2004-11-04 US disclosed
US-20040220113-A1 Inhibitors of serine protease activity methods and compositions for treatment of nitric oxide-induced clinical conditions BIO HOLDING, INC. 2004-11-04 US disclosed
US-6489308-B1 ONE AGENT EXHIBITING MAMMALIAN ALPHA 1-ANTITRYPSIN OR ALPHA 1-ANTITRYPSIN-LIKE ACTIVITY, AND A FREE RADICAL SCAVENGER SUCH AS 2,6,8-TRIHYDROXYPURINE, DIHYDRORHODAMINE, OR A COMBINATION THEREOF TRUSTEES OF UNIVERSITY OF TECHNOLOGY CORPORATION 2002-12-03 US disclosed
US-4046884-A N-(α-Aminoalkylidene)phosphor- and phosphonamidates, and method for controlling insects VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 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-10792383-B2 Method of disinfecting a medical device FANCI, ALDH7A1, DAO CYP2C19 255/4885NOS1 1088/4885NOS3 970/4885
US-20240024518-A1 CONTRAST AGENT AND PRECURSOR AND MANUFACTURING METHOD THEREOF TNNT2, NPPA, VHL CYP2C19 3809/4885NOS1 2506/4885NOS3 2949/4885
US-20160096802-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS GMPS, GUCY1B2, GUCY1A1 CYP2C19 866/4885NOS1 50/4885NOS3 199/4885

“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.