SCHEMBL2055446

SCHEMBL2055446

O=S(=O)(Nc1cccc2nccnc12)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 11/20 0.59
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
GLO1 Q04760 3/20 0.48
TDP1 Q9NUW8 5/20 0.48
AGTR1 P30556 2/20 0.48
G6PD P11413 1/20 0.48
NFKBIA P25963 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
MITF O75030 1/20 0.45
S1PR4 O95977 1/20 0.45

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
SCHEMBL1319547 0.83 SLC40A1 (0.82) SLC40A1KMT2AMEN1ALDH1A1MAPT
SCHEMBL3269491 0.82 SLC40A1 (0.68) SLC40A1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2055416 0.82 CLK1 (0.62) SLC40A1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL2055451 0.75 SLC40A1 (0.58) SLC40A1CYP3A4KMT2AMEN1GLO1
SCHEMBL14360674 0.74 GLO1 (0.72) SLC40A1KMT2AMEN1ALDH1A1MAPT
SCHEMBL30936970 0.74 GLO1 (0.66) SLC40A1KMT2AMEN1ALDH1A1MAPT
SCHEMBL6980378 0.74 SLC40A1 (1.00) SLC40A1KMT2AMEN1GLO1TDP1
SCHEMBL2055447 0.74 SLC40A1 (0.48) SLC40A1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL2055432 0.73 SLC40A1 (0.71) SLC40A1KMT2AMEN1GLO1TDP1
SCHEMBL1110218 0.73 CYP3A4 (0.56) SLC40A1CYP3A4KMT2AMEN1TDP1

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 2499/4885CYP3A4 1698/4885KMT2A 494/4885

“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.