SCHEMBL230653

SCHEMBL230653

NC(=O)C1(c2cc3ccccc3s2)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.61
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL27780996 0.87 SIGMAR1 (0.59) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7385148 0.81 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL27540613 0.77 SIGMAR1 (0.49) SIGMAR1SLC6A3
SCHEMBL7495663 0.77 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL31061011 0.76 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7095248 0.76 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL21597514 0.73 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL23878715 0.71 SIGMAR1 (0.60) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL14681265 0.71 SIGMAR1 (0.86) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL988286 0.69 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165374-A1 AGENTS FOR CONTROLLING PLANT PESTS BAYER CROPSCIENCE AG (DE) 2012-06-28 US claimed
US-20080108607-A1 Pesticides; fungicides; synergistic BAYER AKTIENGESELLSCHAFT (DE) 2008-05-08 US claimed
EP-1412426-B1 MILDEW-RESISTANT SEALING COMPOUND FORMULATIONS CONTAINING A BENZOTHIOPHENE-2-CYCLOHEXYLCARBOXAMIDE-S,S-DIOXIDE GE BAYER SILICONES GMBH & CO (DE) 2007-06-13 EP claimed
EP-1389424-B1 Aqueous dispersion with fungicidal and algicidal action AIR LIQUIDE SANTE INT (FR) 2006-02-15 EP claimed
US-20050101487-A1 Aqueous dispersion with fungicidal and algicidal action AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2005-05-12 US claimed
CN-1566104-A Compositions for controlling plant pests BAYER AG (DE) 2005-01-19 CN claimed
EP-1089626-B1 AGENTS FOR CONTROLLING PLANT PESTS BAYER CROPSCIENCE AG (DE) 2004-10-06 EP claimed
EP-1389424-A1 Aqueous dispersion with fungicidal and algicidal action Air Liquide Santé (International) (FR) 2004-02-18 EP claimed
EP-1290943-A1 Preservative for coating compositions Air Liquide Santé (International) (FR) 2003-03-12 EP claimed
US-9504254-B2 Agents for combating plant pests BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-29 US disclosed
US-8710120-B2 Cross-linkable compositions WACKER CHEMIE AG (DE) 2014-04-29 US disclosed
US-20140107112-A1 Agents for Combating Plant Pests BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-17 US disclosed
US-8399575-B2 Crosslinkable materials based on organosilicon compounds WACKER CHEMIE AG (DE) 2013-03-19 US disclosed
CN-1895047-B Composition for combatting plant pests BAYER CROPSCIENCE AG 2013-03-13 CN disclosed
WO-2003006543-A3 MILDEW-RESISTANT SEALING COMPOUND FORMULATIONS CONTAINING A BENZOTHIOPHENE-2-CYCLOHEXYLCARBOXAMIDE-S,S-DIOXIDE GE BAYER SILICONES GMBH & CO (DE) 2003-05-01 WO disclosed
EP-1290943-A1 Preservative for coating compositions Air Liquide Santé (International) (FR) 2003-03-12 EP disclosed
WO-2003006543-A2 MILDEW-RESISTANT SEALING COMPOUND FORMULATIONS CONTAINING A BENZOTHIOPHENE-2-CYCLOHEXYLCARBOXAMIDE-S,S-DIOXIDE GE BAYER SILICONES GMBH & CO. KG (DE) 2003-01-23 WO disclosed
CN-1307448-A Compositions for controlling plant pests BAYER AG (DE) 2001-08-08 CN disclosed
CN-1305345-A Composition for controlling plant pests BAYER AG (DE) 2001-07-25 CN disclosed
WO-1996004264-A1 PROCESS FOR PRODUCING BENZOTHIOPHENE DIOXIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-15 WO 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-20120165374-A1 AGENTS FOR CONTROLLING PLANT PESTS DDT, ACHE, ERG28 SIGMAR1 4194/4885MEN1 1187/4885KMT2A 1620/4885
US-20140107112-A1 Agents for Combating Plant Pests DDT, CYP51A1, AADAC SIGMAR1 4424/4885MEN1 3203/4885KMT2A 1158/4885
US-20080108607-A1 Pesticides; fungicides; synergistic DDT, ACHE, CYP4X1 SIGMAR1 3866/4885MEN1 2137/4885KMT2A 2341/4885

“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.