SCHEMBL2097958

SCHEMBL2097958

CC(C)(C)C(=O)OCOOP(=O)(CN(c1ccc2ncccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)OOCOC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
HTT P42858 2/20 0.33
RAPGEF3 O95398 1/20 0.33
ALOX15 P16050 1/20 0.33
PLK1 P53350 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
BCAT1 P54687 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL2055518 0.92 MMP2 (0.35) DOT1LMMP2MMP13HTTRAPGEF3
SCHEMBL2097984 0.83 RORC (0.35) PLK1
SCHEMBL2097962 0.80 MMP2 (0.35) DOT1LMMP2MMP13HTTRAPGEF3
SCHEMBL2055379 0.80 DOT1L (0.38) DOT1LMMP2MMP13HTTRAPGEF3
SCHEMBL1754298 0.79 MMP2 (0.37) DOT1LMMP2MMP13HTTRAPGEF3
SCHEMBL2055488 0.78 NPC1 (0.39) DOT1LMMP2MMP13HTTRAPGEF3
SCHEMBL2099696 0.76 RORC (0.35) PLK1
SCHEMBL2098822 0.75 KDM4E (0.32) SMN1; SMN2
SCHEMBL2055513 0.74 RORC (0.34) PLK1
SCHEMBL2055404 0.73 NR4A2 (0.37) ALDH1A1SMN1; SMN2

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 4 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 claimed
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 claimed
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 DOT1L 2160/4885MMP2 2859/4885MMP13 2713/4885

“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.