SCHEMBL2099277

SCHEMBL2099277

CNC(=O)c1cccc2cc(N(C(OCOC(=O)C(C)(C)C)(OCOC(=O)C(C)(C)C)P(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.33
KDR P35968 2/20 0.32
RORC P51449 1/20 0.31
MTNR1A P48039 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
SCHEMBL2097962 0.83 MMP2 (0.35) PLK1
SCHEMBL2055514 0.83 KDR (0.35) PLK1KDRRORCMTNR1A
SCHEMBL2099698 0.82 PLK1 (0.32) PLK1KDRRORCMTNR1A
SCHEMBL2055513 0.82 RORC (0.34) PLK1KDRRORCMTNR1A
SCHEMBL2099696 0.81 RORC (0.35) PLK1KDRRORCMTNR1A
SCHEMBL2099916 0.81 PLK1 (0.38) PLK1KDRRORCMTNR1A
SCHEMBL2097984 0.81 RORC (0.35) PLK1KDRRORCMTNR1A
SCHEMBL2097963 0.78 KDR (0.33) PLK1KDRRORCMTNR1A
SCHEMBL2055475 0.75 PLK1 (0.41) PLK1KDRRORCMTNR1A
SCHEMBL12119209 0.74 OXTR (0.39) PLK1KDRRORCMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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 (1 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 PLK1 2929/4885KDR 2796/4885RORC 826/4885

“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.