SCHEMBL3479376

SCHEMBL3479376

C=CCSCCCSCC=C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TRPA1 O75762 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
TERT O14746 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
SLC25A21 Q9BQT8 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
SCHEMBL3479153 0.90 ALOX5 (0.59) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL4157460 0.90 ALOX5 (0.59) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL3479692 0.90 ALOX5 (0.59) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL4258434 0.89 ALOX5 (0.50) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL10824237 0.86 ALOX5 (0.71) ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4
SCHEMBL7053908 0.85
SCHEMBL11216419 0.85
SCHEMBL1493268 0.83
SCHEMBL4529352 0.83
SCHEMBL7007325 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142500-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS Contech Enterprises Inc. (CA) 2010-01-13 EP claimed
US-20090069407-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REPELLING BLOOD-FEEDING ARTHROPODS AND DETERRING THEIR LANDING AND FEEDING PHERO TECH INTERNATIONAL INC. (CA) 2009-03-12 US claimed
WO-2008116321-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTERPRISES INC. (CA) 2008-10-02 WO claimed
EP-2827433-B1 SECONDARY BATTERY ELECTROLYTE AND SECONDARY BATTERY USING SAME ENVISION AESC ENERGY DEVICES LTD (JP) 2019-09-25 EP disclosed
US-8889731-B2 Compounds, compositions and methods for repelling blood-feeding arthropods and deterring their landing and feeding CONTECH ENTERPRISES INC. (US) 2014-11-18 US disclosed
US-8889731-B2 Compounds, compositions and methods for repelling blood-feeding arthropods and deterring their landing and feeding CONTECH ENTERPRISES INC. (US) 2014-11-18 US disclosed
EP-2142500-B1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTPR INC (CA) 2013-07-31 EP disclosed
EP-2142500-B1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTPR INC (CA) 2013-07-31 EP disclosed
EP-2142500-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS Contech Enterprises Inc. (CA) 2010-01-13 EP disclosed
US-20090069407-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REPELLING BLOOD-FEEDING ARTHROPODS AND DETERRING THEIR LANDING AND FEEDING PHERO TECH INTERNATIONAL INC. (CA) 2009-03-12 US disclosed
US-20090069407-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REPELLING BLOOD-FEEDING ARTHROPODS AND DETERRING THEIR LANDING AND FEEDING PHERO TECH INTERNATIONAL INC. (CA) 2009-03-12 US disclosed
WO-2008116321-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTERPRISES INC. (CA) 2008-10-02 WO disclosed
WO-2008116321-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTERPRISES INC. (CA) 2008-10-02 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 (1 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-20090069407-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REPELLING BLOOD-FEEDING ARTHROPODS AND DETERRING THEIR LANDING AND FEEDING SAV1, CUTA, SOAT1 ALOX5 855/4885SMN1; SMN2 1833/4885TRPA1 169/4885

“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.