SCHEMBL2099281

SCHEMBL2099281

CCC(CC)(N(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(C#N)c1)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.34
ACP3 P15309 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2097982 0.90 ACP3 (0.37) ACLYACP3LMNAMEN1ALDH1A1
SCHEMBL2101140 0.87 ACP3 (0.34) ACLYACP3PSEN1PSEN2APH1B
SCHEMBL2099120 0.86 ACP3 (0.36) ACLYACP3KEAP1NFE2L2LMNA
SCHEMBL2098835 0.86 ACP3 (0.34) ACLYACP3LMNAMEN1ALDH1A1
SCHEMBL2099148 0.86 ACLY (0.34) ACLYACP3LMNAPOLBMEN1
SCHEMBL2098105 0.84 L3MBTL1 (0.35) ACLYACP3PSEN1PSEN2APH1B
SCHEMBL2100857 0.84 KEAP1 (0.31) ACLYKEAP1NFE2L2ALDH1A1MAPT
SCHEMBL2099108 0.83 SIGMAR1 (0.36) ACP3CA2POLBMEN1KMT2A
SCHEMBL3055177 0.82 MEN1 (0.34) ACP3LMNAMEN1ALDH1A1MAPT
SCHEMBL2098952 0.81 IDH1 (0.35) ACP3KEAP1NFE2L2LMNAMEN1

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 ACLY 633/4885ACP3 1198/4885PSEN1 2286/4885

“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.