SCHEMBL1655571

SCHEMBL1655571

CCOC(=O)c1cc2c(n1S(=O)(=O)c1ccc(OC)cc1)CN(C(C)=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.43
NOD1 Q9Y239 4/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MMP3 P08254 2/20 0.40
TP53 P04637 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MMP1 P03956 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL1656120 0.87 PKM (0.45) LMNAALDH1A1TSHRUSP2GAA
SCHEMBL1656155 0.84 MMP1 (0.48) LMNAALDH1A1TSHRUSP2GAA
SCHEMBL2927356 0.79 PKM (0.43) LMNAALDH1A1TSHRUSP2GAA
SCHEMBL1656842 0.79 MMP1 (0.47) LMNAALDH1A1TSHRUSP2GAA
SCHEMBL29228879 0.78 PKM (0.53) LMNAALDH1A1TSHRUSP2GAA
SCHEMBL1655573 0.72 MMP1 (0.40) LMNAALDH1A1TSHRUSP2GAA
SCHEMBL10788602 0.69 ADORA1 (0.42) ALDH1A1TP53
SCHEMBL7047558 0.69 NOD2 (0.47) NOD2NOD1LMNAALDH1A1TSHR
SCHEMBL8247399 0.68 ESR1 (0.63) CA1CA2CA7CA9CA14
SCHEMBL986133 0.68 ESR1 (0.71) CA1CA2CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768979-B1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF MERCK SERONO SA (CH) 2010-09-29 EP claimed
EP-1303631-B9 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES DRITTE PATENTPORTFOLIO BETEILI (DE) 2010-09-08 EP claimed
EP-1303631-B1 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES DRITTE PATENTPORTFOLIO BETEILI (DE) 2010-05-26 EP claimed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US claimed
EP-1768979-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-04 EP claimed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO claimed
US-7932389-B2 treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis MERCK SERONO S.A. (CH) 2011-04-26 US disclosed
US-7932389-B2 treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis MERCK SERONO S.A. (CH) 2011-04-26 US disclosed
US-7932389-B2 treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis MERCK SERONO S.A. (CH) 2011-04-26 US disclosed
EP-1768979-B1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF MERCK SERONO SA (CH) 2010-09-29 EP disclosed
EP-1768979-B1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF MERCK SERONO SA (CH) 2010-09-29 EP disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
US-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-06-19 US disclosed
EP-1768979-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-04 EP disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 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-20080146806-A1 Octahydropyrrolo[2,3C]Pyridine Derivatives and Pharmaceutical Use Thereof PNPO, NLRP3, CHRM3 NOD2 244/4885NOD1 13/4885LMNA 4345/4885

“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.