SCHEMBL12995673

SCHEMBL12995673

CC(C)(C)OC(=O)NCc1ccc(NC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.57
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
DRD2 P14416 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP17A1 P05093 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.41
GAA P10253 1/20 0.41
PTPN11 Q06124 1/20 0.40
EPHX2 P34913 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL12995665 0.87 PSMB8 (0.46) NAMPTDRD2CYP17A1BRD4
SCHEMBL130859 0.84 NAMPT (0.47) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL26636827 0.83 PPARG (0.48) NAMPTMAPTDRD2CYP17A1
SCHEMBL19694494 0.78 NAMPT (0.62) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL13498680 0.78 ALDH1A1 (0.46) NAMPTDRD2CYP17A1BRD4
SCHEMBL3180689 0.77 L3MBTL1 (0.61) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL1687163 0.77 NAMPT (0.41) NAMPTFPR3FPR2DRD2CYP17A1
SCHEMBL439950 0.77 KMT2A (0.52)
SCHEMBL8253777 0.77 NAMPT (0.60) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL2589540 0.77 NAMPT (0.60) NAMPTFPR3FPR2MAPTTDP1

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 NAMPT 4842/4885FPR3 2400/4885FPR2 3203/4885

“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.