SCHEMBL17094153

SCHEMBL17094153

CC(C)(C)OC(=O)N=C(N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1cccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA14 Q9ULX7 1/20 0.34
DRD2 P14416 6/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
CYP3A4 P08684 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
BRD4 O60885 4/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL24929994 1.00 TDP1 (0.38) TDP1MEN1GAAKMT2ACA14
SCHEMBL17209615 0.92 TDP1 (0.38) TDP1MEN1GAAKMT2ADRD2
SCHEMBL17209616 0.92 TDP1 (0.38) TDP1MEN1GAAKMT2ADRD2
SCHEMBL31300029 0.85 NOS1 (0.37)
SCHEMBL31300034 0.85 NOS1 (0.37)
SCHEMBL31300021 0.85 NOS1 (0.37)
SCHEMBL31300035 0.83
SCHEMBL27182108 0.82 CPB2 (0.33)
SCHEMBL22755557 0.82 TDP1 (0.41) TDP1MEN1GAAKMT2ADRD2
SCHEMBL18430958 0.82 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-09-24 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-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM TDP1 4313/4885MEN1 1714/4885GAA 350/4885

“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.