SCHEMBL2055451

SCHEMBL2055451

O=S(=O)(Nc1cccc2cncnc12)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 14/20 0.58
GLO1 Q04760 4/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
G6PD P11413 1/20 0.48
NFKBIA P25963 1/20 0.48
AGTR1 P30556 1/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
PAX8 Q06710 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL11973217 0.84 SLC40A1 (0.68) SLC40A1GLO1TDP1G6PDNFKBIA
SCHEMBL1319547 0.83 SLC40A1 (0.82) SLC40A1GLO1TDP1G6PDNFKBIA
SCHEMBL26964172 0.75 SLC40A1 (0.73) SLC40A1GLO1TDP1G6PDNFKBIA
SCHEMBL2055432 0.75 SLC40A1 (0.71) SLC40A1GLO1TDP1NFKBIAAGTR1
SCHEMBL2055446 0.75 SLC40A1 (0.59) SLC40A1GLO1CYP3A4TDP1G6PD
SCHEMBL6980378 0.74 SLC40A1 (1.00) SLC40A1GLO1TDP1G6PDNFKBIA
SCHEMBL1319104 0.74 RECQL (0.69) SLC40A1MEN1KMT2A
SCHEMBL2055445 0.73 SLC40A1 (0.48) SLC40A1GLO1CYP3A4CYP2D6AGTR1
SCHEMBL2055444 0.73 SLC40A1 (0.49) SLC40A1CYP3A4TDP1
SCHEMBL30925586 0.70 SLC40A1 (1.00) SLC40A1GLO1TDP1G6PDNFKBIA

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 SLC40A1 2499/4885GLO1 1479/4885CYP3A4 1698/4885

“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.