SCHEMBL2055461

SCHEMBL2055461

O=[N+]([O-])c1cc(Cl)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ CA1 P00915 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL2214769 0.88 CYP19A1 (0.52) ALDH1A1KMT2AHTTGAATSHR
SCHEMBL816810 0.88 HTT (0.48) ALDH1A1KMT2AHTTGAATSHR
SCHEMBL29859047 0.83 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AHTTGAA
SCHEMBL15122462 0.79 KMT2A (0.42) ALDH1A1KMT2AHTTGAATSHR
SCHEMBL2820707 0.79 ACP1 (0.43) ALDH1A1KMT2AHTTGAATSHR
SCHEMBL20248063 0.79 KMT2A (0.42) ALDH1A1KMT2AHTTGAATSHR
SCHEMBL2278493 0.79 CA1 (0.59) ALDH1A1TDP1KMT2AHTTGAA
SCHEMBL1943699 0.79 CYP19A1 (0.62) ALDH1A1TDP1KMT2AHTTTSHR
SCHEMBL204235 0.79 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AHTTTSHR
SCHEMBL184464 0.76 TSHR (0.47) ALDH1A1TDP1TSHRHSD17B10FLT1

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 5 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-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

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 ALDH1A1 468/4885TDP1 2372/4885KMT2A 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.

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