SCHEMBL4920097

SCHEMBL4920097

CCC1CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=S)O1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
TP53 P04637 3/20 0.39
CA2 P00918 1/20 0.36
SIRT1 Q96EB6 2/20 0.34
LMNA P02545 1/20 0.34
AGTR2 P50052 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4919757 0.88 PTGS1 (0.41) PTGS1PTGS2TP53CA2SIRT1
SCHEMBL4914436 0.87 PTGS1 (0.39) PTGS1PTGS2CA2SIRT1SIRT2
SCHEMBL27817405 0.77 TP53 (0.34) TP53SIRT1LMNA
SCHEMBL2582217 0.75 PTGS1 (0.39) PTGS1PTGS2CA2
SCHEMBL1963457 0.73 PTGS1 (0.42) PTGS1PTGS2CA2LMNAAGTR2
SCHEMBL1964543 0.72 PTGS1 (0.40) PTGS1PTGS2TP53CA2LMNA
SCHEMBL514838 0.72 PTGS1 (0.38) PTGS1PTGS2CA2SIRT1
SCHEMBL2581430 0.72 FADS1 (0.39) PTGS1PTGS2CA2
SCHEMBL27815096 0.71 MEN1 (0.43) PTGS1PTGS2CA2LMNAALDH1A1
SCHEMBL513997 0.71 PTGS1 (0.39) PTGS1PTGS2CA2

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
US-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof NIHON NOHYAKU CO., LTD. (JP) 2008-11-06 US disclosed
EP-1852425-A1 NOVEL HALOALKYLSULFONANILIDE DERIVATIVE, HERBICIDE, AND METHOD OF USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2007-11-07 EP 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-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof HDHD5, DDT, CBR3 PTGS1 3550/4885PTGS2 3734/4885TP53 3986/4885

“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.