SCHEMBL2055366

SCHEMBL2055366

CCOP(=O)(CN(c1ccc2c(C(=O)NC)cccc2c1)S(=O)(=O)c1cc(C)cc(C)c1)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.38
HCRTR2 O43614 3/20 0.36
MTNR1A P48039 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDR P35968 3/20 0.33
AURKA O14965 1/20 0.33
LCK P06239 1/20 0.33
MET P08581 1/20 0.33
TEK Q02763 1/20 0.33
AURKB Q96GD4 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 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
SCHEMBL2055361 0.90 PLK1 (0.37) PLK1HCRTR2MTNR1AALDH1A1HPGD
SCHEMBL3173034 0.88 PLK1 (0.41) PLK1HCRTR2MTNR1AALDH1A1HPGD
SCHEMBL2055359 0.81 MEN1 (0.38) ALDH1A1HPGDTHRBL3MBTL1POLB
SCHEMBL13905581 0.80 POLA1 (0.37) ALDH1A1HPGDTHRBL3MBTL1POLB
SCHEMBL2055513 0.78 RORC (0.34) PLK1MTNR1AKDRAURKALCK
SCHEMBL2055475 0.77 PLK1 (0.41) PLK1HCRTR2MTNR1AALDH1A1KDR
SCHEMBL2099369 0.77 PLK1 (0.39) PLK1HCRTR2MTNR1AALDH1A1KDR
SCHEMBL2055515 0.77 KDR (0.34) PLK1MTNR1AKDR
SCHEMBL2055364 0.77 AKR1B1 (0.38) POLBMAPTLMNAHDAC3HDAC11
SCHEMBL2055373 0.74 KDM4E (0.41) HCRTR2ALDH1A1HPGDMAPTLMNA

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 PLK1 2929/4885HCRTR2 4568/4885MTNR1A 550/4885

“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.