SCHEMBL2178109

SCHEMBL2178109

COc1cn[c]c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM1A O60341 1/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2178671 0.80 MAPK1 (0.38) CYP11B1CYP11B2PDK2MAPTL3MBTL1
SCHEMBL2178912 0.78 SCN5A (0.31)
SCHEMBL1022718 0.74
SCHEMBL2176305 0.74
SCHEMBL2180276 0.73 PDK2 (0.33) CYP11B1CYP11B2PDK2
SCHEMBL2178426 0.71
SCHEMBL896600 0.71
SCHEMBL2120862 0.71 ALDH1A1 (0.32) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2177830 0.71 ALDH1A1 (0.38) CYP11B1CYP11B2ALDH1A1CYP1A1CYP1B1
SCHEMBL895932 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 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 (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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 CYP11B1 3619/4885CYP11B2 3916/4885PDK2 3779/4885

“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.