SCHEMBL2055397

SCHEMBL2055397

CCOP(=O)(CN(c1c(-c2nc3ccccc3o2)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 3/20 0.37
PTGS2 P35354 2/20 0.37
PTPN2 P17706 3/20 0.36
PTPN1 P18031 3/20 0.36
HSPD1 P10809 2/20 0.36
HSPE1 P61604 2/20 0.36
C1R P00736 1/20 0.35
PRSS1 P07477 1/20 0.35
MAPT P10636 8/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
AHR P35869 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2055505 0.87 HSPD1 (0.39) PTGS2PTPN2PTPN1HSPD1HSPE1
SCHEMBL2056449 0.83 ACLY (0.37) PTGS2C1RPRSS1KDM4EHPGD
SCHEMBL2055391 0.82 POLB (0.36) MAPTALDH1A1GAAHTTTP53
SCHEMBL2055381 0.81 S1PR1 (0.37) PTGS2C1RPRSS1MAPTKDM4E
SCHEMBL2055358 0.81 MAPT (0.32) C1RPRSS1MAPTKDM4EALDH1A1
SCHEMBL2055365 0.81 S1PR1 (0.36) C1RPRSS1MAPTKDM4EALDH1A1
SCHEMBL2055386 0.81 S1PR1 (0.36) PTGS2C1RPRSS1KDM4EALDH1A1
SCHEMBL2055436 0.80 PTPN2 (0.44) PTGS2PTPN2PTPN1HSPD1HSPE1
SCHEMBL13905585 0.80 S1PR1 (0.35) PTGS2C1RPRSS1KDM4EHPGD
SCHEMBL2055389 0.79 MAPT (0.35) MAPTKDM4EALDH1A1GAANPSR1

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 7 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-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
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 UTRN 4480/4885PTGS2 1540/4885PTPN2 75/4885

“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.