SCHEMBL513962

SCHEMBL513962

CC1(C)CC(=O)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)CO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.39
PTGS2 P35354 6/20 0.39
CA2 P00918 1/20 0.37
SIRT1 Q96EB6 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL514838 0.88 PTGS1 (0.38) PTGS1PTGS2CA2SIRT1
SCHEMBL1964598 0.81 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12
SCHEMBL514430 0.79 CA2 (0.39) PTGS1PTGS2CA2
SCHEMBL24370477 0.78 PTGS1 (0.42) PTGS1PTGS2CA2SLC22A12
SCHEMBL4918542 0.76 PTGS1 (0.40) PTGS1PTGS2CA2SLC22A12
SCHEMBL4919572 0.75 PTGS1 (0.41) PTGS1PTGS2CA2SLC22A12
SCHEMBL1966561 0.75 PTGS1 (0.39) PTGS1PTGS2CA2MAPT
SCHEMBL513334 0.74 CA2 (0.39) PTGS1PTGS2CA2
SCHEMBL2582217 0.74 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12
SCHEMBL1964848 0.74 L3MBTL1 (0.47) PTGS1PTGS2CA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 PTGS1 3479/4885PTGS2 4244/4885CA2 200/4885

“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.