SCHEMBL3736237

SCHEMBL3736237

Cn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL939259 0.88 ALDH1A1 (0.38) ALDH1A1LMNACYP2C19CYP2C9CYP2D6
SCHEMBL29169585 0.87 GAA (0.33) ALDH1A1LMNACYP2C19CYP2C9CYP3A4
SCHEMBL13055879 0.87 GAA (0.33) ALDH1A1LMNACYP2C19CYP2C9GAA
SCHEMBL14364493 0.87 ALDH1A1 (0.34) ALDH1A1LMNACYP2C19CYP2C9CYP3A4
SCHEMBL14311485 0.87
SCHEMBL28573200 0.86 GAA (0.33) CYP2C19CYP2C9CYP3A4GAACYP1A2
SCHEMBL14364501 0.86 GAA (0.33) GAAL3MBTL1
SCHEMBL3383476 0.86
SCHEMBL3157387 0.85 ALDH1A1 (0.33) ALDH1A1LMNACYP2C19CYP2C9CYP2D6
SCHEMBL14364512 0.85 GAA (0.32) GAA

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
US-8404618-B2 Herbicidal composition SYNGENTA LIMITED (GB) 2013-03-26 US disclosed
US-8404618-B2 Herbicidal composition SYNGENTA LIMITED (GB) 2013-03-26 US disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
EP-1755397-B1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2008-01-09 EP disclosed
US-20070259786-A1 Herbicidal Composition SYNGENTA CROP PROTECTION, INC. (US) 2007-11-08 US disclosed
US-20070259786-A1 Herbicidal Composition SYNGENTA CROP PROTECTION, INC. (US) 2007-11-08 US disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 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 (2 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-20070259786-A1 Herbicidal Composition DDT, IDH2, ACHE ALDH1A1 54/4885LMNA 3715/4885CYP2C19 210/4885
US-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 ALDH1A1 160/4885LMNA 4600/4885CYP2C19 823/4885

“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.