SCHEMBL2233407

SCHEMBL2233407

N#Cc1ccc2cc(OS(=O)(=O)c3ccccc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
MAOB P27338 2/20 0.52
ALPL P05186 2/20 0.51
PGR P06401 1/20 0.45
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
ENPP2 Q13822 1/20 0.44
CNR2 P34972 1/20 0.44
CA2 P00918 4/20 0.43
CA12 O43570 2/20 0.43
ALDH1A1 P00352 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43

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
SCHEMBL1196442 0.85 MEN1 (0.60) TDP1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL14029074 0.82 TDP1 (0.75) TDP1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL1196441 0.80 MEN1 (0.62) TDP1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL30626034 0.79 CA1 (0.53) TDP1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL8520162 0.79 L3MBTL1 (0.54) TDP1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL1196445 0.78 KMT2A (0.55) TDP1L3MBTL1HTTGAAMAPK1
SCHEMBL1195899 0.78 HSD11B1 (0.45) CA2F2PLGPLAUKLKB1
SCHEMBL1195227 0.78 ALPL (0.48) ALPLCA2ALDH1A1CA1CA9
SCHEMBL6812108 0.76 SLC6A2 (0.44) CA2F2PLGPLAUKLKB1
SCHEMBL6742808 0.75 SMN1; SMN2 (0.60) TDP1L3MBTL1SMN1; SMN2LMNAHTT

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-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 TDP1 827/4885L3MBTL1 3505/4885SMN1; SMN2 4462/4885

“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.