SCHEMBL4414647

SCHEMBL4414647

O=S(=O)(NCCNc1ccccc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
CA2 P00918 5/20 0.45
CA1 P00915 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
EPHX1 P07099 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PKM P14618 1/20 0.40
NPY5R Q15761 1/20 0.40
IDO1 P14902 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DRD4 P21917 1/20 0.38
GRIA4 P48058 1/20 0.38

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
Trifluoromethanesulfonamide SCHEMBL4418171 0.95 CA2 (0.49) ALDH1A1MAPTCA2CA1MEN1
SCHEMBL21653874 0.85 ALDH1A1 (0.37) ALDH1A1MAPTCA2CA1MEN1
SCHEMBL24994346 0.79 ALDH1A1 (0.38) ALDH1A1MAPTCA2CA1MEN1
SCHEMBL11103294 0.78 CA1 (0.66) ALDH1A1MAPTCA2CA1CA12
SCHEMBL632638 0.77 POLB (0.55) ALDH1A1MAPTCA2MEN1KMT2A
SCHEMBL12789664 0.77 EPHX1 (0.60) CA2CA1MEN1KMT2AHTT
Methane SCHEMBL11118664 0.76 ALDH1A1 (0.48) ALDH1A1MAPTCA2CA1MEN1
SCHEMBL11100453 0.75 POLB (0.62) ALDH1A1CA2CA1MEN1KMT2A
SCHEMBL232188 0.74 MAPT (0.78) ALDH1A1MAPTCA2HTTCA12
SCHEMBL216185 0.74 PTPN1 (0.62) ALDH1A1CA2CA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040254150-A1 Nematicidal compositions and methods DIVERGENCE, INC. 2004-12-16 US disclosed
WO-2004103070-A2 NEMATICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2004-12-02 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 (3 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-20040254150-A1 Nematicidal compositions and methods NISCH, PNMT, ATL3 ALDH1A1 1882/4885MAPT 2603/4885CA2 3445/4885
US-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS ALDH1A1 3205/4885MAPT 3378/4885CA2 701/4885
US-20090318563-A1 Nematicidal Compositions and Methods NISCH, PNMT, HNMT ALDH1A1 1760/4885MAPT 2690/4885CA2 3350/4885

“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.