SCHEMBL1958962

SCHEMBL1958962

N#CCS(=O)(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.51
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
DAO P14920 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MIF P14174 1/20 0.37
RORC P51449 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL1955265 0.81 LMNA (0.48) KMT2ADAOTAAR1IDO1MIF
SCHEMBL5745852 0.79 BCHE (0.42) KIF11KMT2ADAOCA1CA2
SCHEMBL14378212 0.78 KIF11 (0.58) KIF11KMT2AL3MBTL1DAOCA1
SCHEMBL3979519 0.77 KMT2A (0.50) KMT2ACA1CA2BCHEACHE
SCHEMBL4071279 0.77 KMT2A (0.41) KMT2AL3MBTL1
SCHEMBL1956899 0.76 DAO (0.39) DAO
SCHEMBL17429348 0.76 KIF11 (0.51) KIF11KMT2ADAOCA1CA2
SCHEMBL1169955 0.76 CA1 (0.48) KMT2ACA1CA2CA9
SCHEMBL7967599 0.75 MMP1 (0.47) KIF11L3MBTL1CA1CA2IDO1
SCHEMBL14426926 0.74 KIF11 (0.53) KIF11KMT2AL3MBTL1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507209-B1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL INC (US) 2015-07-08 EP disclosed
CN-102712583-B Pesticidal bis-organosulfur compounds MERIAL LTD 2015-04-08 CN disclosed
US-8846569-B2 Pesticidal bis-organosulfur compounds MERIAL LIMITED (US) 2014-09-30 US disclosed
US-20120283094-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL, INC. 2012-11-08 US disclosed
EP-2507209-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS Merial Limited (US) 2012-10-10 EP disclosed
CN-102712583-A Pesticidal bis-organosulfur compounds MERIAL LTD 2012-10-03 CN disclosed
WO-2011069143-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL LIMITED (US) 2011-06-09 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-20120283094-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS DDT, GSS, GSR KIF11 3190/4885KMT2A 986/4885L3MBTL1 75/4885

“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.