SCHEMBL12995653

SCHEMBL12995653

CC(C)(C)OC(=O)NC1CCC(NC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CTSK P43235 2/20 0.45
▸ BTK Q06187 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL31659110 0.89 DRD2 (0.45) DRD2KDM1AMAOBCTSKBTK
SCHEMBL12995641 0.85 EPHX1 (0.56) CA1CA2KMT2AL3MBTL1EPHX1
SCHEMBL13809020 0.81 ALDH1A1 (0.34) DRD2GAAKMT2AEPHX1
SCHEMBL12811829 0.81 EPHX1 (0.42) KMT2AEPHX1
SCHEMBL8275250 0.81 BTK (0.41) DRD2KDM1AMAOBCTSKBTK
SCHEMBL3702152 0.80 BTK (0.61) DRD2KDM1AMAOBCTSKBTK
SCHEMBL3702157 0.80 BTK (0.61) DRD2KDM1AMAOBCTSKBTK
SCHEMBL1406894 0.80 BTK (0.61) DRD2KDM1AMAOBCTSKBTK
SCHEMBL10343938 0.80 BTK (0.61) DRD2KDM1AMAOBCTSKBTK
SCHEMBL12995650 0.80 HSD11B1 (0.51) CTSKCA1CA2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives BASILEA PHARMACEUTICA AG 2010-12-02 — — US disclosed
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives BASILEA PHARMACEUTICA AG 2010-12-02 — — 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 (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-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives C9, THOC2, ODC1 DRD2 4482/4885KDM1A 927/4885MAOB 178/4885

“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.

Send feedback