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SCHEMBL1655573

SCHEMBL1655573

CCc1c2c(n(S(=O)(=O)c3ccc(OC)cc3)c1C(=O)O)CN(C(C)=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ PKM P14618 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ PKLR P30613 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.36

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 0.76 PKM (0.45) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2927356 0.72 PKM (0.43) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1655571 0.72 NOD2 (0.43) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1656155 0.69 MMP1 (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1656842 0.67 MMP1 (0.47) MMP1MMP3MMP7MMP9MMP13
SCHEMBL18711921 0.66 PKM (0.76) PKMALDH1A1NPC1PKLRRAB9A
SCHEMBL4467369 0.63 MMP1 (0.67) MMP1MMP3MMP7MMP9MMP13
SCHEMBL986133 0.61 ESR1 (0.71) NPC1RAB9ABAZ2B
SCHEMBL8247399 0.61 ESR1 (0.63) NPC1RAB9ABAZ2B
SCHEMBL19858517 0.61 PKM (0.76) PKMALDH1A1NPC1PKLRRAB9A

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 6 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-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
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

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 1037/4885MMP3 1867/4885MMP7 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.