SCHEMBL3726577

SCHEMBL3726577

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 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.56
HSD11B1 P28845 1/20 0.34
XIAP P98170 1/20 0.33
MMP13 P45452 3/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP1 P03956 3/20 0.32
ADAM17 P78536 1/20 0.32
SYK P43405 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CYP1A2 P05177 1/20 0.30
HPGD P15428 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
SCHEMBL3737325 1.00 IGF1R (0.56) IGF1RHSD11B1XIAPMMP13ADAMTS4
SCHEMBL3728652 0.90 IGF1R (0.52) IGF1RHSD11B1XIAPMMP13ADAMTS4
SCHEMBL3729732 0.88 IGF1R (0.51) IGF1RHSD11B1XIAPMMP13ADAMTS4
SCHEMBL3739556 0.88 IGF1R (0.49) IGF1RHSD11B1MMP13ADAMTS4SYK
SCHEMBL3726916 0.86 IGF1R (0.48) IGF1RHSD11B1MMP13ADAMTS4SYK
SCHEMBL3728745 0.86 IGF1R (0.40) IGF1RHPGD
SCHEMBL3727827 0.86 IGF1R (0.40) IGF1RHPGD
SCHEMBL3730826 0.84 IGF1R (0.46) IGF1RXIAP
SCHEMBL3736465 0.84 IGF1R (0.38) IGF1R
SCHEMBL3732092 0.84 IGF1R (0.38) 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 7 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
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 (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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 IGF1R 306/4885HSD11B1 4844/4885XIAP 3196/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 IGF1R 1595/4885HSD11B1 2991/4885XIAP 1329/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885HSD11B1 2137/4885XIAP 1748/4885

“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.