SCHEMBL2055424

SCHEMBL2055424

O=S(=O)(Nc1ccc2nccnc2c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.59
CYP2D6 P10635 7/20 0.58
PSEN1 P49768 7/20 0.58
PSEN2 P49810 7/20 0.58
APH1B Q8WW43 7/20 0.58
NCSTN Q92542 7/20 0.58
APH1A Q96BI3 7/20 0.58
PSENEN Q9NZ42 7/20 0.58
HTR6 P50406 1/20 0.56
ACLY P53396 1/20 0.50
PGR P06401 1/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CES1 P23141 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
SCHEMBL2055443 0.83 CYP3A4 (0.61) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL2055421 0.83 ALDH1A1 (0.68) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL3036935 0.77 ALDH1A1 (0.56) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL28796775 0.75 CA2 (0.57) CYP3A4ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL30488448 0.75 CA2 (0.57) CYP3A4ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3297249 0.74 CYP3A4 (0.54) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL3304052 0.74 CYP3A4 (0.54) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL29561444 0.74 CES1 (0.81) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL5389593 0.73 NR1I2 (0.58) CYP3A4CYP2D6HTR6ALDH1A1LMNA
SCHEMBL3037113 0.73 MAPT (0.56) CYP3A4CYP2D6PSEN1PSEN2APH1B

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 CYP3A4 1698/4885CYP2D6 84/4885PSEN1 2286/4885

“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.