SCHEMBL3573990

SCHEMBL3573990

C=C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.57
MMP3 P08254 1/20 0.57
MMP9 P14780 1/20 0.57
MAPT P10636 6/20 0.56
TDP1 Q9NUW8 4/20 0.56
POLB P06746 3/20 0.56
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
NPSR1 Q6W5P4 3/20 0.50
CTSS P25774 2/20 0.50
KLK5 Q9Y337 1/20 0.50
ATM Q13315 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
MLYCD O95822 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
PAX8 Q06710 1/20 0.49
HCRTR1 O43613 1/20 0.48

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
SCHEMBL3573987 1.00 MMP1 (0.57) MMP1MMP3MMP9MAPTTDP1
SCHEMBL6218963 0.86 ATM (0.62) POLBATMALDH1A1
SCHEMBL13524950 0.86 ATM (0.62) POLBATMALDH1A1
SCHEMBL15630652 0.86 MAPT (0.60) MMP1MMP3MMP9MAPTTDP1
SCHEMBL13645698 0.86 MAPT (0.60) MMP1MMP3MMP9MAPTTDP1
SCHEMBL22352567 0.84 TACR1 (0.54) POLBATMALDH1A1
SCHEMBL8980296 0.84 TACR1 (0.54) POLBATMALDH1A1
SCHEMBL18435382 0.83 CTSS (0.68) MMP1MMP3MMP9MAPTTDP1
SCHEMBL16459753 0.83 CTSS (0.68) MMP1MMP3MMP9MAPTTDP1
SCHEMBL16459752 0.83 CTSS (0.68) MMP1MMP3MMP9MAPTTDP1

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-7709644-B2 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 US disclosed
EP-1375501-B1 Process for enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo(4.3.0)nonane using simulated moving bed chromatography LANXESS DEUTSCHLAND GMBH (DE) 2005-11-02 EP disclosed
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
EP-1375501-A1 Process for enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo(4.3.0)nonane using simulated moving bed chromatography Bayer Chemicals AG (DE) 2004-01-02 EP disclosed
EP-0545168-B1 Optically active polymer beads containing a filler BAYER AG (DE) 1996-04-24 EP disclosed
EP-0379917-B1 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1995-08-09 EP disclosed
US-5348656-A Adsorbants for optical resolution BAYER AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0545168-A1 Optically active polymer beads containing a filler BAYER AG (DE) 1993-06-09 EP disclosed
EP-0379917-A2 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1990-08-01 EP 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-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, DECR1, SPIN2B MMP1 3631/4885MMP3 4134/4885MMP9 227/4885
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, CYP8B1, CCR8 MMP1 3980/4885MMP3 3745/4885MMP9 226/4885

“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.