SCHEMBL1754307

SCHEMBL1754307

O=C(Nc1ccccc1)Nc1ccc2cc(N(CP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA2 P00918 2/20 0.43
CNR1 P21554 2/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IMPDH2 P12268 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL1754449 0.87 MEN1 (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2055448 0.87 MAPT (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2055471 0.85 S1PR1 (0.45) RAB9ANPC1MEN1KMT2ANPSR1
SCHEMBL3044567 0.82 KAT6A (0.42) MAPTRAB9AMEN1KMT2A
SCHEMBL2097965 0.80 MAPT (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3058248 0.79 S1PR1 (0.38) S1PR1
SCHEMBL3040196 0.78 PTPN11 (0.49) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL2055476 0.78 MAPT (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1110478 0.77 GPR27 (0.47) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4233539 0.76 NPC1 (0.47) MAPTRAB9ANPC1MEN1KMT2A

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 13 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 claimed
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 claimed
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP claimed
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 claimed
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
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP 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
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 MAPT 4830/4885RAB9A 1011/4885NPC1 3111/4885

“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.