SCHEMBL2936133

SCHEMBL2936133

O=C1CN(Cc2ccncc2NS(=O)(=O)c2ccccc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
CCR9 P51686 10/20 0.37
ENPP2 Q13822 2/20 0.36
OXTR P30559 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL2935319 0.92 CCR2 (0.39) IGF1RCCR9PTGS1PTGS2
SCHEMBL2936859 0.90 IGF1R (0.39) IGF1RENPP2TAS2R8RXFP1GAA
SCHEMBL2939114 0.89 IGF1R (0.40) IGF1RENPP2TAS2R8PTGS1PTGS2
SCHEMBL2941150 0.89 PTGS1 (0.42) IGF1RENPP2TAS2R8RXFP1PTGS1
SCHEMBL2939063 0.88 IGF1R (0.40) IGF1RTAS2R8PTGS1PTGS2
SCHEMBL2936393 0.88 IGF1R (0.38) IGF1RCCR9ENPP2TAS2R8PTGS1
SCHEMBL2938721 0.88 IGF1R (0.37) IGF1RCCR9ENPP2OXTRTAS2R8
SCHEMBL2941772 0.88 CCR9 (0.46) CCR9ENPP2
SCHEMBL2940805 0.88 IGF1R (0.39) IGF1RCCR9ENPP2TAS2R8PTGS1
SCHEMBL2933357 0.88 GAA (0.36) IGF1RCCR9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 US disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 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 (2 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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885CCR9 3896/4885ENPP2 3905/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885CCR9 4016/4885ENPP2 3920/4885

“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.