SCHEMBL2055422

SCHEMBL2055422

O=S(=O)(Nc1cnc2ccccc2c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 12/20 0.67
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 1/20 0.67
KMT2A Q03164 2/20 0.60
RAB9A P51151 1/20 0.60
SLC22A12 Q96S37 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX12 P18054 1/20 0.55
PPARG P37231 1/20 0.55
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL1413883 0.85 ALPL (0.79) ALPLALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3828751 0.84 PPARG (0.62) ALPLALDH1A1KDM4EKMT2ARAB9A
SCHEMBL2055421 0.82 ALDH1A1 (0.68) ALDH1A1KMT2ARAB9ACYP3A4PPARG
SCHEMBL15211991 0.78 ALPL (0.69) ALPLALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3061828 0.76 ALPL (0.62) ALPLALDH1A1KDM4EKMT2ARAB9A
SCHEMBL27963947 0.76 ALPL (0.61) ALPLALDH1A1KDM4EKMT2ARAB9A
SCHEMBL15212053 0.76 ALPL (1.00) ALPLALDH1A1KDM4EKMT2ASLC22A12
SCHEMBL15211798 0.75 ALPL (1.00) ALPLLMNASMN1; SMN2
SCHEMBL15212081 0.75 ALPL (0.83) ALPLLMNASMN1; SMN2
SCHEMBL31371108 0.75 ALPL (1.00) ALPLLMNASMN1; SMN2

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 ALPL 1688/4885ALDH1A1 468/4885KDM4E 1336/4885

“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.