SCHEMBL4414642

SCHEMBL4414642

CC(C)N(CCS(=O)(=O)F)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FAAH O00519 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL28331757 0.74 MEN1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL27522383 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL8532673 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL6661628 0.74 TSHR (0.42) MEN1KMT2AALDH1A1
SCHEMBL7760158 0.72
Hydrochloric Acid SCHEMBL28331759 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL13451705 0.70 MEN1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL1133203 0.69 MEN1 (0.62) MEN1KMT2AALDH1A1
SCHEMBL21939821 0.69 ALDH1A1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL5075267 0.67

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
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO claimed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US claimed
US-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
US-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
US-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 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-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS MEN1 1567/4885KMT2A 2382/4885FAAH 236/4885
US-20090318563-A1 Nematicidal Compositions and Methods NISCH, PNMT, HNMT MEN1 2327/4885KMT2A 1937/4885FAAH 81/4885

“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.