SCHEMBL2055481

SCHEMBL2055481

CNC(=O)c1cccc2c(N(CP(=O)(O)O)S(=O)(=O)c3cc(C)cc(C)c3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 7/20 0.39
NFE2L2 Q16236 7/20 0.39
PLK1 P53350 2/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
MTNR1A P48039 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33

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
SCHEMBL3173034 0.82 PLK1 (0.41) KEAP1NFE2L2PLK1TP53ALDH1A1
SCHEMBL2055485 0.82 KDM4E (0.44) KEAP1NFE2L2TP53ALDH1A1HTT
SCHEMBL2055484 0.75 KDM4E (0.40) KEAP1NFE2L2TP53ALDH1A1HTT
SCHEMBL2055491 0.75 KDM4E (0.40) KEAP1NFE2L2TP53ALDH1A1HTT
SCHEMBL1110663 0.74 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL2099167 0.74 GPR139 (0.42) KEAP1NFE2L2ALDH1A1GAASMN1; SMN2
SCHEMBL12119682 0.73 PKM (0.46) KEAP1NFE2L2PLK1ALDH1A1GAA
SCHEMBL2055474 0.73 RAB9A (0.44) TP53ALDH1A1GAASMN1; SMN2HTT
SCHEMBL2055475 0.71 PLK1 (0.41) PLK1ALDH1A1SMN1; SMN2HTTMTNR1A
SCHEMBL2099170 0.71 TP53 (0.44) KEAP1NFE2L2TP53ALDH1A1GAA

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 5 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-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
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
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 WO 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 KEAP1 3301/4885NFE2L2 2068/4885PLK1 2929/4885

“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.