SCHEMBL2790028

SCHEMBL2790028

CCCCOP(=O)(O)OCCCC.CCCCSC(=N)N

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.61
NOS1 P29475 2/20 0.61
NOS2 P35228 2/20 0.61
CYP3A4 P08684 1/20 0.41
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 1/20 0.40
HRH4 Q9H3N8 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HRH2 P25021 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL7565143 0.90 NOS3 (0.61) NOS3NOS1NOS2CYP3A4LPAR3
SCHEMBL29177519 0.78 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL15389152 0.78 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL26559 0.78 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL6562227 0.78
Iodide SCHEMBL5047411 0.76
Bromide SCHEMBL4732426 0.76
Methane SCHEMBL11359992 0.76 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL945567 0.76 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL150664 0.76 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1

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 61 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
CN-101917848-A S-alkylisothiouronium derivatives for the treatment of uterine hypercontractility disorders BARKAN FARMA S R L 2010-12-15 CN 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-2219447-A2 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING UTERINE HYPERCONTRACTILITY DISORDERS Barkan-Farma S.r.l. (MD) 2010-08-25 EP 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-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-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 NOS3 1108/4885NOS1 1882/4885NOS2 1042/4885
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 NOS3 1091/4885NOS1 1481/4885NOS2 1507/4885
US-20100285127-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES TAS2R5, TAS2R40, TAS2R30 NOS3 2946/4885NOS1 3835/4885NOS2 3695/4885
US-20090186854-A1 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, TST, TNF NOS3 423/4885NOS1 466/4885NOS2 238/4885
US-20100305210-A1 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR TREATING ABNORMAL UTERINE BLEEDING DISORDERS ITPR3, KCNN3, KCNN2 NOS3 1731/4885NOS1 3072/4885NOS2 2431/4885
US-20040006044-A1 Pharmaceutical compositions for headache, migraine, nausea and emesis MGMT, TRPA1, HNMT NOS3 1855/4885NOS1 2729/4885NOS2 2383/4885

“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.