SCHEMBL6200524

SCHEMBL6200524

O=[N+]([O-])c1cc(NS(=O)(=O)CCl)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
GAA P10253 3/20 0.54
VCAM1 P19320 1/20 0.51
LMNA P02545 7/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CA1 P00915 1/20 0.48
MMP2 P08253 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MITF O75030 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL584314 0.87 ALDH1A1 (0.59) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL14964656 0.83 ALDH1A1 (0.55) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL8806944 0.82 ALDH1A1 (0.52) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL31283304 0.82 ALDH1A1 (0.55) ALDH1A1GAALMNARECQLMAPT
SCHEMBL461513 0.80 ALDH1A1 (0.61) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL27183377 0.80 ALDH1A1 (0.58) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL7125391 0.77 ALDH1A1 (0.52) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL4901044 0.77 ALDH1A1 (0.73) ALDH1A1GAAVCAM1LMNARECQL
SCHEMBL1891805 0.77 ALDH1A1 (0.72) ALDH1A1GAAVCAM1LMNAMAPT
SCHEMBL4968417 0.75 FFAR4 (0.71) ALDH1A1GAAVCAM1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973739-B1 N-ARYLSULFONAMIDE- AND PYRROLIDINECARBOXYLIC ACID INTERMEDIATES, AND THEIR USE FOR THE PREPARATION OF HERBICIDAL 1,3-DIOXO-1H-PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES DEGUSSA (DE) 2005-11-02 EP disclosed
US-6664400-B2 1-((4-halo-3-sulfonamidophenyl)aminocarbonyl),2-carboxy -pyrrolidine intermediate of given formula DEGUSSA AG (DE) 2003-12-16 US disclosed
US-20020137946-A1 N-arylsulfonamide and pyrrolidinecarboxylic acid intermediates, and their use for the preparation of herbicidal 1,3-dioxo-1h-pyrrolo[1,2-c]imidazole derivatives DEGUSSA AG (DE) 2002-09-26 US disclosed
US-6384234-B1 HALOGENATION DEGUSSA AG (DE) 2002-05-07 US disclosed
EP-0973739-A1 N-ARYLSULFONAMIDE- AND PYRROLIDINECARBOXYLIC ACID INTERMEDIATES, AND THEIR USE FOR THE PREPARATION OF HERBICIDAL 1,3-DIOXO-1H-PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-01-26 EP disclosed
US-5874382-A Cyclic sulfonamide herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US disclosed
WO-1998037065-A1 N-ARYLSULFONAMIDE- AND PYRROLIDINECARBOXYLIC ACID INTERMEDIATES, AND THEIR USE FOR THE PREPARATION OF HERBICIDAL 1,3-DIOXO-1H-PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-27 WO disclosed
US-5750471-A PREEMERGENCE, POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-12 US disclosed
EP-0765324-A1 CYCLIC SULFONAMIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-04-02 EP disclosed
WO-1995033746-A1 CYCLIC SULFONAMIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-14 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 (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-20020137946-A1 N-arylsulfonamide and pyrrolidinecarboxylic acid intermediates, and their use for the preparation of herbicidal 1,3-dioxo-1h-pyrrolo[1,2-c]imidazole derivatives CBR3, CBR1, CLIC1 ALDH1A1 199/4885GAA 3599/4885VCAM1 4858/4885

“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.