Ethylisothiourea

Ethylisothiourea

SCHEMBL2789989

CCOP(O)O.CCSC(=N)N.CCSC(=N)N

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.62
CYP1A2 P05177 5/20 0.62
NOS3 P29474 4/20 0.62
NOS2 P35228 4/20 0.62
CYP2C19 P33261 4/20 0.62
TSHR P16473 2/20 0.62
CYP2D6 P10635 1/20 0.62
TDP1 Q9NUW8 4/20 0.60
BLM P54132 1/20 0.60
LMNA P02545 2/20 0.37
HRH4 Q9H3N8 3/20 0.37
IDO1 P14902 3/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HRH2 P25021 1/20 0.31

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 SCHEMBL160501 0.79
Ethylisothiourea SCHEMBL2787239 0.78 NOS1 (0.75) NOS1CYP1A2NOS3NOS2CYP2C19
Thiourea SCHEMBL27742988 0.78
Ethylisothiourea SCHEMBL6837679 0.77
Ethylisothiourea SCHEMBL2916536 0.77
Ethylisothiourea SCHEMBL18169 0.77
Ethylisothiourea SCHEMBL16322930 0.74
Ethylisothiourea SCHEMBL7418298 0.74
Hydrazine SCHEMBL11440109 0.74
Hydrazine SCHEMBL11440104 0.74 ALOX15 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318238-A1 METHODS FOR REDUCING SEQUELAE OF INTRA-DIALYTIC HYPOTENSION FARFARA ROY (CY) 2018-11-08 US claimed
US-20100311691-A1 COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING UPPER RESPIRATORY CONGESTION BARKAN REFAEL 2010-12-09 US claimed
US-20100305210-A1 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING ABNORMAL UTERINE BLEEDING DISORDERS BARKAN-FARMA S.R.L. (MD) 2010-12-02 US claimed
US-20100285127-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES MEDITOR PHARMACEUTICALS LTD. (IL) 2010-11-11 US claimed
EP-2219446-A2 COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING UPPER RESPIRATORY CONGESTION Barkan-Farma S.r.l. (MD) 2010-08-25 EP claimed
EP-2219447-A2 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING UTERINE HYPERCONTRACTILITY DISORDERS Barkan-Farma S.r.l. (MD) 2010-08-25 EP claimed
EP-2167050-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES Meditor Pharmaceuticals Ltd. (IL) 2010-03-31 EP claimed
US-20090186854-A1 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES MEDITOR PHARMACEUTICALS LTD. (IL) 2009-07-23 US claimed
WO-2009060450-A2 COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING UPPER RESPIRATORY CONGESTION BARKAN-FARMA S.R.L. (MD) 2009-05-14 WO claimed
WO-2009060451-A2 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING UTERINE HYPERCONTRACTILITY DISORDERS BARKAN-FARMA S.R.L. (MD) 2009-05-14 WO claimed
WO-2007029255-A1 PREVENTION OF HYPOTENSION AND STABILIZATION OF BLOOD PRESSURE IN HEMODIALYSIS PATIENTS MEDITOR PHARMACEUTICALS LTD. (IL) 2007-03-15 WO claimed
US-7148208-B2 Pharmaceutical compositions for headache, migraine, nausea and emesis MEDITOR PHARMACEUTICALS LTD. (IL) 2006-12-12 US claimed
EP-1315505-A4 PHARMACEUTICAL COMPOSITIONS FOR HEADACHE, MIGRAINE, NAUSEA AND EMESIS MEDITOR PHARMACEUTICALS LTD (IL) 2006-02-22 EP claimed
US-20040006044-A1 Pharmaceutical compositions for headache, migraine, nausea and emesis MEDITOR PHARMACEUTICALS LTD. (IL) 2004-01-08 US claimed
EP-1315505-A2 PHARMACEUTICAL COMPOSITIONS FOR HEADACHE, MIGRAINE, NAUSEA AND EMESIS Meditor Pharmaceuticals Ltd. (IL) 2003-06-04 EP claimed
EP-0928191-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING S-ALKYLISOTHIOURONIUM DERIVATIVES MEDITOR PHARMACEUTICALS LTD (IL) 2002-08-28 EP claimed
WO-2002019961-A2 PHARMACEUTICAL COMPOSITIONS FOR HEADACHE, MIGRAINE, NAUSEA AND EMESIS MEDITOR PHARMACEUTICALS LTD. (IL) 2002-03-14 WO claimed
US-6160008-A Pharmaceutical compositions comprising S-alkylisothiouronium derivatives MEDITOR PHARMACEUTICALS LTD. (IL) 2000-12-12 US claimed
EP-0928191-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING S-ALKYLISOTHIOURONIUM DERIVATIVES Meditor Pharmaceuticals Ltd. (IL) 1999-07-14 EP claimed
WO-1998013036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING S-ALKYLISOTHIOURONIUM DERIVATIVES MEDITOR PHARMACEUTICALS LTD. (IL) 1998-04-02 WO claimed

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-20180318238-A1 METHODS FOR REDUCING SEQUELAE OF INTRA-DIALYTIC HYPOTENSION REN, SLC6A5, SLC6A12 NOS1 1882/4885CYP1A2 4774/4885NOS3 1108/4885
US-20100311691-A1 COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING UPPER RESPIRATORY CONGESTION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TAS2R7, ADRB1 NOS1 1481/4885CYP1A2 1429/4885NOS3 1091/4885
US-20100285127-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES TAS2R5, TAS2R40, TAS2R30 NOS1 3835/4885CYP1A2 2240/4885NOS3 2946/4885
US-20090186854-A1 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, TST, TNF NOS1 466/4885CYP1A2 1264/4885NOS3 423/4885
US-20100305210-A1 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING ABNORMAL UTERINE BLEEDING DISORDERS ITPR3, KCNN3, KCNN2 NOS1 3072/4885CYP1A2 1284/4885NOS3 1731/4885
US-20040006044-A1 Pharmaceutical compositions for headache, migraine, nausea and emesis MGMT, TRPA1, HNMT NOS1 2729/4885CYP1A2 3215/4885NOS3 1855/4885

“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.