SCHEMBL2055403

SCHEMBL2055403

CCOP(=O)(CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.33
VCAM1 P19320 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
STAT3 P40763 1/20 0.32
TUBA1B P68363 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
SCHEMBL2055357 0.90 KDM4E (0.40) KDM4ESIGMAR1ALDH1A1NPSR1MAPT
SCHEMBL3068339 0.86 KDM4E (0.38) CYP19A1KDM4ESIGMAR1POLBTDP1
SCHEMBL2055372 0.86 KDM4E (0.38) KDM4EALDH1A1NPSR1MAPTKMT2A
SCHEMBL2055508 0.86 KDM4E (0.38) CYP19A1KDM4ESIGMAR1POLBTDP1
SCHEMBL2055375 0.85 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTMAPK1
SCHEMBL2055465 0.85 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTKMT2A
SCHEMBL2055374 0.85 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTKMT2A
SCHEMBL2055396 0.83 KDM4E (0.35) KDM4EMAPTLMNAHPGDTUBB4A
SCHEMBL2055384 0.83 HDAC8 (0.37) KDM4ELMNAHPGD
SCHEMBL2055393 0.81 KDM4E (0.38) KDM4ESIGMAR1ALDH1A1NPSR1MAPT

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 CYP19A1 271/4885KDM4E 1336/4885SIGMAR1 4191/4885

“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.