SCHEMBL3570314

SCHEMBL3570314

C=C(C)C(=O)NC(C(=O)OC(C)(C)C)C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
CTSS P25774 1/20 0.44
PSENEN Q9NZ42 1/20 0.40
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.34
CA2 P00918 2/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
POLB P06746 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CFD P00746 1/20 0.33

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
SCHEMBL3570317 1.00 CTSK (0.44) CTSKCTSSPSENENLMNATSHR
SCHEMBL3567097 0.84 CTSK (0.38) CTSKCTSSTSHRTGFBR1CA2
SCHEMBL2563040 0.84 HTT (0.46) TGFBR1ALDH1A1HTTNOS3NOS1
SCHEMBL3567095 0.84 CTSK (0.38) CTSKCTSSTSHRTGFBR1CA2
SCHEMBL2563038 0.84 HTT (0.46) TGFBR1ALDH1A1HTTNOS3NOS1
SCHEMBL27726832 0.84 HTT (0.46) TGFBR1ALDH1A1HTTNOS3NOS1
SCHEMBL15312479 0.80 CTSK (0.47) CTSKCTSSPSENENALDH1A1HTT
SCHEMBL21368000 0.79 CTSS (0.44) CTSKCTSSPSENENTSHRALDH1A1
Hydrochloric Acid SCHEMBL15312478 0.78 CTSK (0.46) CTSKCTSSPSENENALDH1A1HTT
Hydrochloric Acid SCHEMBL15312476 0.78 CTSK (0.46) CTSKCTSSPSENENALDH1A1HTT

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 4 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
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
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 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-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, DECR1, SPIN2B CTSK 4035/4885CTSS 4045/4885PSENEN 2669/4885
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 CTSK 4237/4885CTSS 3886/4885PSENEN 2421/4885

“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.