SCHEMBL3409048

SCHEMBL3409048

CC(C)(C)OC(=O)NCC(O)COS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SYK P43405 1/20 0.38
SERPINE1 P05121 1/20 0.38
CA12 O43570 5/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA14 Q9ULX7 3/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL18990109 0.86 MEN1 (0.41) MEN1GAAKMT2ATDP1SYK
SCHEMBL6563056 0.84 MEN1 (0.40) MEN1GAAKMT2ATDP1SYK
SCHEMBL23370069 0.84 MEN1 (0.40) MEN1GAAKMT2ATDP1SYK
SCHEMBL18341144 0.82 SYK (0.47) MEN1GAAKMT2ATDP1SYK
SCHEMBL22773003 0.82 SERPINE1 (0.41) MEN1GAAKMT2ATDP1SYK
SCHEMBL23674564 0.82 SERPINE1 (0.41) MEN1GAAKMT2ATDP1SYK
SCHEMBL11088522 0.82 SYK (0.47) MEN1GAAKMT2ATDP1SYK
SCHEMBL18340793 0.82 SYK (0.47) MEN1GAAKMT2ATDP1SYK
SCHEMBL570033 0.81 MEN1 (0.50) MEN1GAAKMT2ATDP1SYK
SCHEMBL6689109 0.81 MEN1 (0.41) MEN1GAAKMT2ATDP1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 MEN1 253/4885GAA 2970/4885KMT2A 751/4885

“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.