SCHEMBL2097955

SCHEMBL2097955

CCC(CC)(N(c1cccc2c(S(=O)(=O)N(C)C)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
EDNRA P25101 6/20 0.35
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 1/20 0.33
ACLY P53396 1/20 0.32
FEN1 P39748 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
F2 P00734 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
SCHEMBL2097982 0.85 ACP3 (0.37) HTTTDP1ALDH1A1KMT2AMAPT
SCHEMBL2099719 0.84 ESR1 (0.35) ALDH1A1KMT2AMAPTLMNAACLY
SCHEMBL2100857 0.83 KEAP1 (0.31) ALDH1A1MAPTACLY
SCHEMBL3051590 0.81 MEN1 (0.39) L3MBTL1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2101140 0.80 ACP3 (0.34) HTTALDH1A1KMT2AMAPTMEN1
SCHEMBL2097979 0.80 MEN1 (0.37) HTTCYP1A2ALDH1A1KMT2AMAPT
SCHEMBL2055482 0.79 HTT (0.40) HTTCYP1A2CYP2C19HIF1ATDP1
SCHEMBL2099148 0.79 ACLY (0.34) HTTALDH1A1KMT2AMAPTMEN1
SCHEMBL2099120 0.79 ACP3 (0.36) HTTALDH1A1KMT2AMAPTMEN1
SCHEMBL2098835 0.79 ACP3 (0.34) HTTALDH1A1KMT2AMAPTMEN1

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 HTT 4139/4885CYP1A2 171/4885CYP2C19 290/4885

“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.