SCHEMBL5000695

SCHEMBL5000695

C[S+]([O-])CC=CCN=C=S

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.38
MIF P14174 1/20 0.38
TSHR P16473 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
SCHEMBL1079374 0.77
SCHEMBL28596349 0.74 TRPA1 (0.33) TRPA1CYP3A4MIFTSHR
SCHEMBL4196199 0.67
SCHEMBL9686684 0.67
SCHEMBL11382641 0.67
SCHEMBL5575755 0.67
SCHEMBL8987278 0.66
SCHEMBL8987279 0.66
SCHEMBL3274084 0.65
SCHEMBL28605701 0.64 TRPA1 (0.34) TRPA1CYP3A4MIFTSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313377-B1 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2015-01-21 EP claimed
EP-1313377-B1 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2015-01-21 EP disclosed
US-7402569-B2 Treatment of Helicobacter with isothiocyanates BRASSICA FOUNDATION FOR CHEMOPROTECTION RESEARCH, INC. (US) 2008-07-22 US disclosed
US-20040180843-A1 Treatment of helicobacter with isothocyanates BRASSICA FOUNDATION FOR CHEMOPROTECTION RESEARCH, INC. 2004-09-16 US disclosed
US-6737441-B2 PREVENTING OR TREATING PERSISTENT CHRONIC GASTRITIS, ULCERS AND/OR STOMACH CANCER Fahey, Jed W. 2004-05-18 US disclosed
EP-1313377-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES Fahey, Jed W. (US) 2003-05-28 EP disclosed
US-20020151505-A1 Treatment of helicobacter with isothiocyanates FAHEY, JED W. 2002-10-17 US disclosed
WO-2002015722-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2002-02-28 WO disclosed