SCHEMBL3090183

SCHEMBL3090183

CC(C)(C)OC(=O)NCCSCc1ncccc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.40
MALT1 Q9UDY8 1/20 0.39
BCHE P06276 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7556315 0.86 IDO1 (0.40) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL3393132 0.86 IDO1 (0.41) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL3091847 0.85 IDO1 (0.41) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL3081832 0.84 KDM4E (0.44) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL12306338 0.82 IDO1 (0.39) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL3657811 0.81 ALDH1A1 (0.40) KDM4EL3MBTL1CYP3A4LMNAHPGD
SCHEMBL3393143 0.81 KDM4E (0.35) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL6235707 0.81 IDO1 (0.42) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL27511257 0.81 LMNA (0.44) IDO1KDM4EL3MBTL1CYP3A4MALT1
SCHEMBL3078848 0.78 PDK2 (0.37)

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 11 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-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
WO-2010123997-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-28 WO disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 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
WO-2010030810-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO 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 (2 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M IDO1 2104/4885KDM4E 1244/4885L3MBTL1 488/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M IDO1 2341/4885KDM4E 1553/4885L3MBTL1 304/4885

“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.