SCHEMBL3728652

SCHEMBL3728652

CC(C)[C@@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)[N+]1(Cc1ccnc2ccccc12)OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.52
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
XIAP P98170 1/20 0.32
HSD11B1 P28845 1/20 0.32
SYK P43405 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
SCHEMBL3726577 0.90 IGF1R (0.56) IGF1RADAMTS4MMP13PTGDR2XIAP
SCHEMBL3737325 0.90 IGF1R (0.56) IGF1RADAMTS4MMP13PTGDR2XIAP
SCHEMBL3729732 0.89 IGF1R (0.51) IGF1RADAMTS4MMP13PTGDR2XIAP
SCHEMBL3736918 0.87 IGF1R (0.36) IGF1R
SCHEMBL3739556 0.85 IGF1R (0.49) IGF1RADAMTS4MMP13PTGDR2HSD11B1
SCHEMBL3726916 0.84 IGF1R (0.48) IGF1RADAMTS4MMP13HSD11B1SYK
SCHEMBL3730826 0.82 IGF1R (0.46) IGF1RXIAP
SCHEMBL3726823 0.80 IGF1R (0.51) IGF1RADAMTS4MMP13PTGDR2HSD11B1
SCHEMBL3739476 0.79 IGF1R (0.56) IGF1RADAMTS4MMP13PTGDR2HSD11B1
SCHEMBL3728745 0.76 IGF1R (0.40) IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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
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

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 1595/4885ADAMTS4 4434/4885MMP13 4174/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885ADAMTS4 4435/4885MMP13 4447/4885

“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.