SCHEMBL3081832

SCHEMBL3081832

CC(C)(C)OC(=O)NCCc1ncccc1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NQO2 P16083 1/20 0.44
CYP3A4 P08684 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
AKT1 P31749 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCHE P06276 1/20 0.41
IDO1 P14902 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
NAMPT P43490 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL5592422 0.85 NQO2 (0.47) KDM4EL3MBTL1NQO2CYP3A4AKT1
SCHEMBL25056476 0.85 KDM4E (0.45) KDM4EL3MBTL1NQO2CYP3A4AKT1
SCHEMBL3090183 0.84 IDO1 (0.41) KDM4EL3MBTL1CYP3A4MALT1NPSR1
SCHEMBL13095179 0.83 KDM4E (0.43) KDM4EL3MBTL1NQO2CYP3A4AKT1
SCHEMBL31569082 0.83 KDM4E (0.43) KDM4EL3MBTL1NQO2CYP3A4AKT1
SCHEMBL31569262 0.83 KDM4E (0.41) KDM4EL3MBTL1NQO2CYP3A4MALT1
SCHEMBL31569428 0.82 ATR (0.45) KDM4EL3MBTL1NQO2CYP3A4MALT1
SCHEMBL31569423 0.82 KDM4E (0.41) KDM4EL3MBTL1NQO2CYP3A4MALT1
SCHEMBL31569447 0.82 LMNA (0.41) KDM4EL3MBTL1NQO2CYP3A4MALT1
SCHEMBL31569014 0.82 KDM4E (0.41) KDM4EL3MBTL1NQO2CYP3A4MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
CN-101835777-A Carbacephem beta-lactam antibiotics ACHAOGEN INC 2010-09-15 CN disclosed
EP-2205600-A1 CARBACEPHEM ß -LACTAM ANTIBIOTICS Achaogen, Inc. (US) 2010-07-14 EP disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M KDM4E 1553/4885L3MBTL1 304/4885NQO2 843/4885

“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.