SCHEMBL3776131

SCHEMBL3776131

NS(=O)(=O)c1c(O)cccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.44
STAT3 P40763 1/20 0.39
CA2 P00918 12/20 0.38
CA1 P00915 10/20 0.38
CA9 Q16790 8/20 0.37
CA12 O43570 7/20 0.37
CDK1 P06493 1/20 0.36
CXCR2 P25025 1/20 0.36
CX3CR1 P49238 1/20 0.36
MAOA P21397 2/20 0.35
CA6 P23280 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
LDHA P00338 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL6808438 0.84 CDK2 (0.52) CDK2STAT3CA2CA1CA9
SCHEMBL6532982 0.83 AURKA (0.37) CDK2STAT3CA2CA1CA9
SCHEMBL3774458 0.78 CA2 (0.45) CA2CA1CA9CA12CA6
SCHEMBL13006837 0.77 ALDH1A1 (0.39) CA2CA1CA9CA12CA6
SCHEMBL3771716 0.77 CA1 (0.43) CA2CA1CA9CA12CA7
SCHEMBL3778822 0.76 ALOX15 (0.49) CA2CA1CA9CA12CA6
SCHEMBL9584262 0.76 ALOX15 (0.48) CDK2STAT3CA2CA1CA9
SCHEMBL9941171 0.76 CDK2 (0.61) CDK2STAT3CA2CA1CA9
SCHEMBL29469942 0.74 TRPA1 (0.48) CDK2STAT3CA2CA1CA9
SCHEMBL3296375 0.74 TRPA1 (0.48) CDK2STAT3CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855166-B2 Sulfonylamino(thio)carbonyl compounds BAYER CROPSCIENCE GMBH (DE) 2010-12-21 US disclosed
US-7855166-B2 Sulfonylamino(thio)carbonyl compounds BAYER CROPSCIENCE GMBH (DE) 2010-12-21 US disclosed
US-20100317524-A1 Sulfonylureas BAYER CROPSCIENCE AG (DE) 2010-12-16 US disclosed
US-20100317524-A1 Sulfonylureas BAYER CROPSCIENCE AG (DE) 2010-12-16 US disclosed
CN-101166724-A Sulfonylamino (thio) carbonyl compounds in the form of herbicides or plant growth regulators BAYER CROPSCIENCE AG (DE) 2008-04-23 CN disclosed
CN-101166731-A Herbicidally active phenylsulfonylureas BAYER CROPSCIENCE AG (DE) 2008-04-23 CN disclosed
EP-1877380-A1 SULFONYLAMINO(THIO)CARBONYL COMPOUNDS IN THE FORM OF HERBICIDES OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2008-01-16 EP disclosed
EP-1877386-A1 HERBICIDALLY ACTIVE PHENYLSULPHONYL-UREA Bayer CropScience AG (DE) 2008-01-16 EP disclosed
US-20060264329-A1 Sulfonylureas BAYER CROPSCIENCE GMBH (DE) 2006-11-23 US disclosed
US-20060258536-A1 Sulfonylamino(thio)carbonyl compounds BAYER CROPSCIENCE GMBH (DE) 2006-11-16 US disclosed
EP-1717232-A1 Phenylsulfonylureas with herbicidal activity Bayer CropScience GmbH (DE) 2006-11-02 EP disclosed
EP-1717228-A1 Sulfonylamino(thio)carbonylderivatives as herbicides or plant growth regulators Bayer CropScience GmbH (DE) 2006-11-02 EP disclosed
WO-2006114221-A1 SULFONYLAMINO(THIO)CARBONYL COMPOUNDS IN THE FORM OF HERBICIDES OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2006-11-02 WO disclosed
WO-2006114220-A1 HERBICIDALLY ACTIVE PHENYLSULPHONYL-UREA BAYER CROPSCIENCE AG (DE) 2006-11-02 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-20100317524-A1 Sulfonylureas IAPP, SLC5A2, SLC5A1 CDK2 3643/4885STAT3 3305/4885CA2 418/4885
US-20060258536-A1 Sulfonylamino(thio)carbonyl compounds TST, CBR3, MYB CDK2 1069/4885STAT3 1261/4885CA2 3775/4885
US-20060264329-A1 Sulfonylureas INSR, FFAR3, GPR119 CDK2 2991/4885STAT3 1923/4885CA2 1646/4885

“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.