SCHEMBL1656155

SCHEMBL1656155

COc1ccc(S(=O)(=O)n2c(C(=O)NO)cc3c2CN(C(C)=O)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.48
MMP9 P14780 9/20 0.48
MMP7 P09237 7/20 0.48
MMP3 P08254 7/20 0.48
MMP13 P45452 5/20 0.48
MMP2 P08253 3/20 0.46
MMP12 P39900 3/20 0.46
MMP14 P50281 3/20 0.46
MMP15 P51511 3/20 0.46
MMP16 P51512 3/20 0.46
MMP26 Q9NRE1 3/20 0.46
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.43
TRIM24 O15164 1/20 0.42
TUBB4A P04350 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
SCHEMBL1656120 0.89 PKM (0.45) MMP1MMP9MMP7MMP3MMP13
SCHEMBL1655571 0.84 NOD2 (0.43) MMP1MMP9MMP7MMP3MMP13
SCHEMBL1656842 0.84 MMP1 (0.47) MMP1MMP9MMP7MMP3MMP13
SCHEMBL2927356 0.81 PKM (0.43) MMP1MMP9MMP7MMP3MMP13
SCHEMBL1655573 0.69 MMP1 (0.40) MMP1MMP9MMP7MMP3MMP13
SCHEMBL986133 0.69 ESR1 (0.71) CA1CA2CA7CA9CA14
SCHEMBL8247399 0.69 ESR1 (0.63) CA1CA2CA7CA9CA14
SCHEMBL1263174 0.69 HDAC6 (0.70) USP2ALDH1A1LMNAGAAPKM
SCHEMBL29228917 0.68 PKM (0.58) USP2ALDH1A1LMNAGAAHPGD
SCHEMBL1263013 0.67 PKM (0.51) USP2ALDH1A1LMNAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MMP1 1037/4885MMP9 1358/4885MMP7 2275/4885

“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.