SCHEMBL4410568

SCHEMBL4410568

COc1ccc(NCCS(=O)(=O)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.66
MAPT P10636 5/20 0.66
ALDH1A1 P00352 3/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
APP P05067 1/20 0.47
RPS6KA2 Q15349 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
RECQL P46063 2/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.44

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
Hydrochloric Acid SCHEMBL9735996 0.98 GAA (0.63) GAAMAPTALDH1A1CA1CA2
SCHEMBL10341659 0.83 GLA (0.46) GAAMAPTALDH1A1CA1CA2
SCHEMBL1030950 0.80 GAA (1.00) GAAMAPTALDH1A1CA1CA2
SCHEMBL9816615 0.80 GAA (0.58) GAAMAPTALDH1A1CA1CA2
SCHEMBL7841993 0.80 GAA (0.58) GAAMAPTALDH1A1CA1CA2
SCHEMBL7840702 0.80 GAA (0.58) GAAMAPTALDH1A1CA1CA2
SCHEMBL9736374 0.79 MAPT (0.61) GAAMAPTALDH1A1CA1CA2
SCHEMBL9780212 0.79 KIF11 (0.50) GAAMAPTALDH1A1CA1CA2
SCHEMBL917492 0.78 GAA (0.59) GAAMAPTALDH1A1CA1CA2
SCHEMBL10341633 0.78 NPC1 (0.60) GAACA1CA2CA12CA9

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-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
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 GAA 754/4885MAPT 3378/4885ALDH1A1 3205/4885
US-20090318563-A1 Nematicidal Compositions and Methods NISCH, PNMT, HNMT GAA 1090/4885MAPT 2690/4885ALDH1A1 1760/4885

“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.