SCHEMBL7071375

SCHEMBL7071375

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL31105040 1.00 DGAT1 (0.35) DGAT1CNR2ALDH1A1
SCHEMBL29797022 0.77 DGAT1 (0.38) DGAT1CNR2ALDH1A1
SCHEMBL7150488 0.75 GGT1 (0.45) ALDH1A1
SCHEMBL485564 0.75
SCHEMBL25788811 0.75 GGT1 (0.45) ALDH1A1
SCHEMBL2292425 0.75
SCHEMBL12116983 0.75
SCHEMBL3117265 0.75
SCHEMBL16638803 0.75
SCHEMBL485077 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552056-B2 Bactericides; fungicides; miticides; nematocides; for agriculture NIHON BAYER AGROCHEM K.K. (JP) 2003-04-22 US disclosed
US-20030013750-A1 Isothiazolecarboxamides and their use as microbicides NIHOM BAYER AGROCHEM K.K. (JP) 2003-01-16 US disclosed
EP-1185519-A1 ISOTHIAZOLECARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2002-03-13 EP disclosed
WO-2000073290-A1 ISOTHIAZOLECARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2000-12-07 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-20030013750-A1 Isothiazolecarboxamides and their use as microbicides MCL1, MSR1, MPO DGAT1 1742/4885CNR2 502/4885ALDH1A1 591/4885

“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.