SCHEMBL1075111

SCHEMBL1075111

CCN(CC)S(=O)(=O)c1cccc(OC(F)F)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 4/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL29572365 0.85 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2HSD11B1POLB
SCHEMBL163836 0.85 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2HSD11B1POLB
SCHEMBL13994214 0.84 HCRTR2 (0.36) KDM4EHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL15461580 0.81 EPAS1 (0.45)
SCHEMBL168868 0.80 SLC22A12 (0.38) KDM4ETSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL29572421 0.80 SLC22A12 (0.38) KDM4ETSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL27930056 0.79 ALDH1A1 (0.33) L3MBTL1HTTTDP1TSHRALDH1A1
SCHEMBL14568177 0.78 ALDH1A1 (0.46) KDM4ECYP1A2CYP2C19L3MBTL1HTT
SCHEMBL11083190 0.78 HTT (0.46) KDM4ECYP1A2CYP2C19L3MBTL1HTT
SCHEMBL646910 0.78 TRPV4 (0.47) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP claimed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US claimed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US claimed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
EP-2268615-B1 PESTICIDES DOW AGROSCIENCES LLC (US) 2016-08-17 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-8445689-B2 Pesticides DOW AGROSCIENCES, LLC. (US) 2013-05-21 US disclosed
US-20120225782-A1 PESTICIDES DOW AGROSCIENCES LLC (US) 2012-09-06 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-8178685-B2 Pesticides DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20110077160-A1 PESTICIDES DOW AGROSCIENCES LLC 2011-03-31 US disclosed
EP-2268615-A1 PESTICIDES Dow AgroSciences LLC (US) 2011-01-05 EP disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009111309-A1 PESTICIDES DOW AGROSCIENCES LLC (US) 2009-09-11 WO disclosed
US-20090221424-A1 PESTICIDES DOW AGROSCIENCES LLC (US) 2009-09-03 US disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 US 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 (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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP KDM4E 706/4885CYP1A2 40/4885CYP2C19 164/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 1172/4885CYP1A2 557/4885CYP2C19 1660/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 1172/4885CYP1A2 557/4885CYP2C19 1660/4885
US-20120225782-A1 PESTICIDES ACHE, DDT, GSTP1 KDM4E 2245/4885CYP1A2 64/4885CYP2C19 42/4885
US-20090221424-A1 PESTICIDES ACHE, DDT, GSTP1 KDM4E 2251/4885CYP1A2 64/4885CYP2C19 40/4885
US-20110077160-A1 PESTICIDES ACHE, DDT, GSTP1 KDM4E 2251/4885CYP1A2 64/4885CYP2C19 40/4885

“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.