SCHEMBL3776174

SCHEMBL3776174

NS(=O)(=O)c1c(I)cccc1OCC(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL29469943 0.82 CA1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL29115260 0.79 SLC22A12 (0.36) CA1CA2CA9
SCHEMBL3773786 0.77 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL1588644 0.75 CYP1A2 (0.34) HTR2AHTR2CHTR2BHCRTR1HCRTR2
SCHEMBL29229925 0.74 CA2 (0.41) DRD1CA12CA1CA2CA7
SCHEMBL3772307 0.74 CA2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL4394385 0.68 SLC22A12 (0.36)
SCHEMBL30130262 0.68 MRGPRX4 (0.36) HCRTR1HCRTR2
SCHEMBL30839044 0.68 SLC22A12 (0.36)
SCHEMBL29431092 0.68 SLC22A12 (0.36)

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
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
EP-1877386-A1 HERBICIDALLY ACTIVE PHENYLSULPHONYL-UREA Bayer CropScience AG (DE) 2008-01-16 EP 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
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 DRD1 3220/4885CA12 2065/4885CA1 1524/4885
US-20060258536-A1 Sulfonylamino(thio)carbonyl compounds TST, CBR3, MYB DRD1 2531/4885CA12 4407/4885CA1 4582/4885
US-20060264329-A1 Sulfonylureas INSR, FFAR3, GPR119 DRD1 1180/4885CA12 2685/4885CA1 2058/4885

“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.