SCHEMBL2099173

SCHEMBL2099173

CCNC(=O)c1ccc2ccccc2c1N(CP(=O)(O)O)S(=O)(=O)c1cc(Cl)cc(Cl)c1.c1cc2cc-2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
HTT P42858 1/20 0.32
S1PR1 P21453 1/20 0.32
NR1H2 P55055 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
SCHEMBL2055503 0.85 KCNA5 (0.42) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL2055506 0.82 ACLY (0.36) ACLYALDH1A1MAPTLMNAKDM4E
SCHEMBL2055498 0.82 S1PR1 (0.37) ACLYMAPTLMNAKDM4EMEN1
SCHEMBL2055507 0.81 S1PR1 (0.38) ACLYMAPTMEN1KMT2ABCL2L1
SCHEMBL1110219 0.80 ACLY (0.37) ACLYALDH1A1MAPTLMNAKDM4E
SCHEMBL2056457 0.79 ACLY (0.40) ACLYS1PR1
SCHEMBL2055480 0.79 S1PR1 (0.39) ACLYALDH1A1MAPTKDM4EMEN1
SCHEMBL1754282 0.79 S1PR1 (0.40) ACLYALDH1A1MEN1KMT2AS1PR1
SCHEMBL2055394 0.78 POLB (0.39) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL2055502 0.78 HPGD (0.41) ACLYALDH1A1MAPTLMNAKDM4E

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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US claimed
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
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP 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 ACLY 633/4885ALDH1A1 468/4885MAPT 4830/4885

“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.