SCHEMBL3548626

SCHEMBL3548626

O=S(=O)(Cl)c1ccc(OCC2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.51
PARP10 Q53GL7 5/20 0.51
PARP2 Q9UGN5 2/20 0.51
PKM P14618 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL18088475 1.00 PARP15 (0.51) PARP15PARP10PARP2PKMALDH1A1
SCHEMBL20325660 0.93 PARP15 (0.54) PARP15PARP10PARP2PKMALDH1A1
SCHEMBL20325460 0.92 PARP10 (0.55) PARP15PARP10PARP2ALDH1A1LMNA
SCHEMBL21035567 0.89 PARP15 (0.43) PARP15PARP10PARP2PKMALDH1A1
SCHEMBL29660023 0.89 RORC (0.51) PARP15PARP10PARP2PKMALDH1A1
SCHEMBL18088474 0.82 PARP15 (0.56) PARP15PARP10PARP2PKMALDH1A1
SCHEMBL3546671 0.82 PARP15 (0.51) PARP15PARP10PARP2PKMALDH1A1
SCHEMBL13589518 0.82 PTGS2 (0.53) PARP15PARP10PARP2PKMALDH1A1
SCHEMBL19891720 0.82 CA1 (0.58) PARP15PARP10PARP2ALDH1A1
SCHEMBL19874554 0.81 PARP15 (0.54) PARP15PARP10PARP2PKMALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659293-B2 α-Amino-N-hydroxy-acetamide derivatives NOVARTIS AG (CH) 2010-02-09 US disclosed
US-20080176916-A1 A-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES NOVARTIS AG (CH) 2008-07-24 US disclosed
US-7291634-B2 α-amino-N-hydroxy-acetamide derivatives NOVARTIS AG (CH) 2007-11-06 US disclosed
US-20060270719-A1 2-[(Cyclopropylmethoxy-benzenesulfonyl)-(4-[1,2,3]triazol-2-yl-benzyl)-amino]-N-hydroxy-acetamide; selective inhibitors of matrix-degrading metalloproteinases, especially MT1-MMP, MMP-2 and MMP-9; Osteoporosis; Antitumor, antiproliferative agents NOVARTIS AG (CH) 2006-11-30 US disclosed
US-7112611-B2 1g(α)-amino-N-hydroxy-acetamide derivatives NOVARTIS AG (CH) 2006-09-26 US disclosed
US-20040082630-A1 1g(a)-Amino-n-hydroxy-acetamide derivatives NOVARTIS AG (CH) 2004-04-29 US disclosed
EP-1360175-A1 1G(A)-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES Novartis AG (CH) 2003-11-12 EP disclosed
WO-2002064552-A1 1g(a)-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES NOVARTIS AG (CH) 2002-08-22 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 (3 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-20060270719-A1 2-[(Cyclopropylmethoxy-benzenesulfonyl)-(4-[1,2,3]triazol-2-yl-benzyl)-amino]-N-hydroxy-acetamide; selective inhibitors of matrix-degrading metalloproteinases, especially MT1-MMP, MMP-2 and MMP-9; Osteoporosis; Antitumor, antiproliferative agents MMP9, MMP14, MMP13 PARP15 493/4885PARP10 810/4885PARP2 389/4885
US-20080176916-A1 A-AMINO-N-HYDROXY-ACETAMIDE DERIVATIVES MMP1, MMP9, MMP14 PARP15 516/4885PARP10 857/4885PARP2 480/4885
US-20040082630-A1 1g(a)-Amino-n-hydroxy-acetamide derivatives MMP1, MMP9, MMP13 PARP15 377/4885PARP10 716/4885PARP2 462/4885

“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.