SCHEMBL2055439

SCHEMBL2055439

O=S(=O)(Nc1c(C#Cc2ccccc2)ccc2ccccc12)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.46
ACLY P53396 7/20 0.42
PGR P06401 1/20 0.41
SLC16A3 O15427 3/20 0.41
HKDC1 Q2TB90 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HCRTR1 O43613 1/20 0.39
HSD17B2 P37059 1/20 0.39
KDM1A O60341 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL2055430 0.85 G6PD (0.42) G6PDACLYPGRHKDC1HSP90AA1
SCHEMBL2055423 0.84 G6PD (0.46) G6PDACLYPGRHKDC1HSP90AA1
SCHEMBL2055425 0.79 G6PD (0.51) G6PDACLYPGRHKDC1HSP90AA1
SCHEMBL2055413 0.78 ACLY (0.54) G6PDACLYPGRHKDC1HSP90AA1
SCHEMBL2056450 0.78 G6PD (0.50) G6PDACLYPGRHKDC1HSP90AA1
SCHEMBL13905622 0.77 G6PD (0.49) G6PDACLYPGRHKDC1HSP90AA1
SCHEMBL2055433 0.77 G6PD (0.49) G6PDACLYPGRHKDC1HSP90AA1
SCHEMBL2055431 0.75 HCRTR1 (0.59) G6PDACLYPGRHKDC1HCRTR1
SCHEMBL2055468 0.75 ACLY (0.51) G6PDACLYPGRHKDC1
SCHEMBL2055438 0.72 ACLY (0.48) G6PDACLYHKDC1HSP90AA1HSP90AB1

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 G6PD 158/4885ACLY 633/4885PGR 2258/4885

“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.