SCHEMBL12995665

SCHEMBL12995665

CC(C)(C)OC(=O)Nc1ccc(NC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.46
DRD2 P14416 1/20 0.46
LIPE Q05469 1/20 0.46
CYP17A1 P05093 3/20 0.45
PRKDC P78527 1/20 0.44
NAMPT P43490 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CD274 Q9NZQ7 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MAPK14 Q16539 1/20 0.40
NR1I3 Q14994 3/20 0.40
MAP4K4 O95819 1/20 0.40
MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL13498680 0.89 ALDH1A1 (0.46) PSMB8DRD2LIPECYP17A1PRKDC
SCHEMBL12995673 0.87 NAMPT (0.57) DRD2CYP17A1NAMPTBRD4
SCHEMBL26636827 0.87 PPARG (0.48) PSMB8DRD2LIPECYP17A1PRKDC
SCHEMBL4399509 0.83 NPC1 (0.54) NAMPT
SCHEMBL9086106 0.81 GAA (0.44) CA12CA1CA9BRD4NR1I3
SCHEMBL24072461 0.81 ACHE (0.50) PSMB8DRD2LIPEPRKDCCA12
SCHEMBL30338896 0.81 ACHE (0.50) PSMB8DRD2LIPEPRKDCCA12
SCHEMBL13055402 0.80 CYP17A1 (0.59) PSMB8DRD2LIPECYP17A1NAMPT
SCHEMBL1205198 0.80 SMN1; SMN2 (0.51)
SCHEMBL1162081 0.79 MAPT (0.51)

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 3 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
WO-2009071638-A2 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 (CH) 2009-06-11 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-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 PSMB8 242/4885DRD2 4482/4885LIPE 4289/4885

“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.