SCHEMBL2098835

SCHEMBL2098835

CCC(CC)(N(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Br)c1)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.34
ACLY P53396 3/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
C1R P00736 1/20 0.31
PRSS1 P07477 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
STAT3 P40763 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL2097982 0.93 ACP3 (0.37) ACP3ACLYMEN1ALDH1A1LMNA
SCHEMBL2101974 0.93 KDM4E (0.33) ACP3MEN1ALDH1A1MAPTHPGD
SCHEMBL2100102 0.89 IDH1 (0.32) MEN1ALDH1A1MAPTHPGDHTT
SCHEMBL2101140 0.89 ACP3 (0.34) ACP3ACLYMEN1ALDH1A1LMNA
SCHEMBL2099120 0.88 ACP3 (0.36) ACP3ACLYMEN1ALDH1A1LMNA
SCHEMBL2099148 0.88 ACLY (0.34) ACP3ACLYMEN1ALDH1A1LMNA
SCHEMBL2098105 0.87 L3MBTL1 (0.35) ACP3ACLY
SCHEMBL2099281 0.86 ACLY (0.34) ACP3ACLYMEN1ALDH1A1LMNA
SCHEMBL2099108 0.85 SIGMAR1 (0.36) ACP3MEN1KMT2AFLT1FLT4
SCHEMBL3055177 0.84 MEN1 (0.34) ACP3MEN1ALDH1A1LMNAMAPT

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 2 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-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

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 ACP3 1198/4885ACLY 633/4885MEN1 2590/4885

“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.