SCHEMBL2097962

SCHEMBL2097962

CC(C)(C)C(=O)OCOC(OCOC(=O)C(C)(C)C)(N(c1ccc2ncccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
HTT P42858 2/20 0.34
ALOX5 P09917 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
SCN9A Q15858 1/20 0.33
NAMPT P43490 2/20 0.33
RAPGEF3 O95398 1/20 0.33
ALOX15 P16050 1/20 0.32
PLK1 P53350 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
BCAT1 P54687 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 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
SCHEMBL2099277 0.83 PLK1 (0.33) PLK1
SCHEMBL2055518 0.81 MMP2 (0.35) MMP2MMP13NPC1RAB9AHTT
SCHEMBL2097958 0.80 DOT1L (0.34) MMP2MMP13NPC1RAB9AHTT
SCHEMBL2099401 0.79 DOT1L (0.38) MMP2MMP13NPC1RAB9AHTT
SCHEMBL2099819 0.77 MMP2 (0.37) MMP2MMP13NPC1RAB9AHTT
SCHEMBL2100987 0.73 NR4A2 (0.37) MMP2MMP13NPC1RAB9AHTT
SCHEMBL2055488 0.72 NPC1 (0.39) MMP2MMP13NPC1RAB9AHTT
SCHEMBL1754892 0.70 MMP2 (0.39) MMP2MMP13NPC1RAB9AHTT
SCHEMBL1754893 0.70 MMP2 (0.41) MMP2MMP13NPC1RAB9AHTT
SCHEMBL2098568 0.68 ATM (0.32) NPC1RAB9A

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 MMP2 2859/4885MMP13 2713/4885NPC1 3111/4885

“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.