SCHEMBL1655808

SCHEMBL1655808

CCOC(=O)[C@@H]1C[C@@H]2CCN(C(=O)CC(C)C)C[C@@H]2N1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.57
MMP2 P08253 3/20 0.57
MMP12 P39900 1/20 0.57
ALDH1A1 P00352 6/20 0.50
MMP1 P03956 4/20 0.47
MMP3 P08254 4/20 0.47
MMP7 P09237 3/20 0.47
MMP13 P45452 3/20 0.47
MMP8 P22894 1/20 0.47
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
PKM P14618 2/20 0.42
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8271936 1.00 MMP9 (0.57) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL2924847 0.89 MMP9 (0.62) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL1655814 0.88 MMP9 (0.56) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL1655664 0.87 MMP9 (0.73) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1658419 0.84 MMP9 (0.59) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL1655572 0.83 MMP9 (0.59) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL1655818 0.82 MMP9 (0.60) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL5532545 0.81 MMP9 (0.67) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL1655568 0.81 MMP9 (0.67) MMP9MMP2MMP12ALDH1A1MMP1
SCHEMBL1655592 0.79 ALDH1A1 (0.49) MMP9MMP2MMP12ALDH1A1MMP1

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 14 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
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US 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
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
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 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-2231661-A1 INHIBITORS OF PI3 KINASE Amgen, Inc. (US) 2010-09-29 EP disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MMP9 1358/4885MMP2 2336/4885MMP12 1249/4885
US-20090163489-A1 Inhibitors of PI3 kinase PIK3CA, PIK3CD, PIK3CG MMP9 698/4885MMP2 1312/4885MMP12 1814/4885

“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.