SCHEMBL2055348

SCHEMBL2055348

CCOP(=O)(CN(c1c(C(N)=O)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1I2 O75469 1/20 0.33
PTGS2 P35354 1/20 0.33
ACLY P53396 1/20 0.32
KAT6A Q92794 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 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
SCHEMBL2055344 0.90 S1PR1 (0.32) HPGDS1PR1ALDH1A1THRBL3MBTL1
SCHEMBL2055398 0.90 ACLY (0.34) HPGDS1PR1ALDH1A1THRBL3MBTL1
SCHEMBL2055399 0.89 S1PR1 (0.34) HPGDS1PR1ALDH1A1THRBL3MBTL1
SCHEMBL2055365 0.88 S1PR1 (0.36) HPGDS1PR1ALDH1A1THRBL3MBTL1
SCHEMBL2098098 0.87 HPGD (0.32) HPGDS1PR1ALDH1A1THRBL3MBTL1
SCHEMBL2055394 0.87 POLB (0.39) HPGDALDH1A1KMT2ALMNAKDM4E
SCHEMBL13905585 0.87 S1PR1 (0.35) HPGDS1PR1NR1I2PTGS2LMNA
SCHEMBL2055381 0.86 S1PR1 (0.37) HPGDS1PR1ALDH1A1THRBL3MBTL1
SCHEMBL2055498 0.86 S1PR1 (0.37) S1PR1ACLYBCL2L1MCL1KMT2A
SCHEMBL2055395 0.86 HPGD (0.42) HPGDALDH1A1L3MBTL1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 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-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-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 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
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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 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
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (4 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HPGD 1746/4885S1PR1 288/4885ALDH1A1 1930/4885
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 HPGD 3202/4885S1PR1 148/4885ALDH1A1 468/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HPGD 1746/4885S1PR1 288/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HPGD 1746/4885S1PR1 288/4885ALDH1A1 1930/4885

“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.