SCHEMBL2362856

SCHEMBL2362856

CCCCCCCCCS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.54
GSR P00390 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
GAA P10253 1/20 0.45
THRB P10828 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
GSTP1 P09211 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
SCHEMBL9453001 1.00 TXNRD1 (0.54) TXNRD1GSRKMT2AMEN1PKM
SCHEMBL6367042 0.87 KMT2A (0.59) KMT2AMEN1PKMALDH1A1CA1
SCHEMBL14740564 0.85 KMT2A (0.53) TXNRD1GSRKMT2AMEN1PKM
SCHEMBL12751034 0.82 KMT2A (0.66) KMT2AMEN1PKMALDH1A1CA1
SCHEMBL11332743 0.81 KMT2A (0.49) KMT2AMEN1PKMALDH1A1CA1
SCHEMBL7033755 0.80 TXNRD1 (0.60) TXNRD1GSRKMT2AMEN1PKM
SCHEMBL7896686 0.80 KMT2A (0.68) KMT2AMEN1PKMALDH1A1CA1
SCHEMBL14997056 0.79 KMT2A (0.50) KMT2AMEN1PKMALDH1A1CA1
SCHEMBL163300 0.79 ALDH1A1 (0.57) TXNRD1GSRKMT2AMEN1ALDH1A1
SCHEMBL8711063 0.79 KMT2A (0.50) TXNRD1KMT2AMEN1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083764-B1 N-SUBSTITUTED MONOMERS AND POLYMERS UNIV RUTGERS (US) 2015-08-26 EP disclosed
EP-2718283-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-04-16 EP disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
EP-2079491-B1 N-SUBSTITUTED MONOMERS AND POLYMERS REVA MEDICAL INC (US) 2013-02-27 EP disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO disclosed
US-8288590-B2 N-substituted monomers and polymers RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-10-16 US disclosed
US-20110269848-A1 N-SUBSTITUTED MONOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-11-03 US disclosed
US-8034365-B2 Polymer substituted with amide or thioamide groups; vascular stents, bioreabsorbable polymers REVA MEDICAL, INC. (US) 2011-10-11 US disclosed
US-8008528-B2 Polymers substituted with amide or thioamide groups; vascular stents; bioreabsorable polymer; low viscosity melt RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-08-30 US disclosed
EP-2083764-A2 N-SUBSTITUTED MONOMERS AND POLYMERS Rutgers, The State University (US) 2009-08-05 EP disclosed
EP-2079491-A2 N-SUBSTITUTED MONOMERS AND POLYMERS Reva Medical, Inc. (US) 2009-07-22 EP disclosed
WO-2008100346-A2 N-SUBSTITUTED MONOMERS AND POLYMERS REVA MEDICAL, INC. (US) 2008-08-21 WO disclosed
US-20080187567-A1 N-SUBSTITUTED MONOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-08-07 US disclosed
WO-2008082738-A2 N-SUBSTITUTED MONOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY (US) 2008-07-10 WO disclosed
US-20080112999-A1 N-SUBSTITUTED MONOMERS AND POLYMERS REVA MEDICAL, INC. (US) 2008-05-15 US 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-20110269848-A1 N-SUBSTITUTED MONOMERS AND POLYMERS NANS, NCL, PNISR TXNRD1 4744/4885GSR 3244/4885KMT2A 3118/4885
US-20080187567-A1 N-SUBSTITUTED MONOMERS AND POLYMERS NANS, NCL, PNISR TXNRD1 4744/4885GSR 3244/4885KMT2A 3118/4885
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF HTR4, HTR3B, HTR3A TXNRD1 4043/4885GSR 1678/4885KMT2A 4241/4885

“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.