SCHEMBL2055418

SCHEMBL2055418

Cc1cc(C)cc(S(=O)(=O)Nc2cccc3ccccc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.69
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
KEAP1 Q14145 3/20 0.58
NFE2L2 Q16236 2/20 0.55
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.54
SLC40A1 Q9NP59 2/20 0.50
ACLY P53396 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ADRA2A P08913 1/20 0.48
HTR6 P50406 1/20 0.48
MCL1 Q07820 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL2055417 0.90 RECQL (0.60) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL1110244 0.90 RECQL (0.60) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL7573136 0.86 KEAP1 (0.76) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL1428546 0.82 RECQL (1.00) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL1110504 0.81 RECQL (0.69) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL1319104 0.81 RECQL (0.69) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL9942077 0.79 RECQL (0.71) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL164503 0.79 RECQL (0.76) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL13905723 0.79 RECQL (0.60) RECQLKMT2AALDH1A1MEN1MAPT
SCHEMBL31689486 0.79 RECQL (0.60) RECQLKMT2AALDH1A1MEN1MAPT

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 RECQL 1173/4885KMT2A 494/4885ALDH1A1 468/4885

“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.