SCHEMBL3089405

SCHEMBL3089405

CC(C)(C)OC(=O)NCCSCc1cnccc1SC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.41
LATS1 O95835 4/20 0.41
CYP3A4 P08684 2/20 0.41
NAMPT P43490 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LATS2 Q9NRM7 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13095166 0.88 IDO1 (0.41) IDO1LATS1CYP3A4NAMPTTDP1
SCHEMBL3092617 0.84 IDO1 (0.45) IDO1LATS1CYP3A4NAMPTTDP1
SCHEMBL2453025 0.84 IDO1 (0.50) IDO1LATS1CYP3A4TDP1LMNA
SCHEMBL6240507 0.82 IDO1 (0.43) IDO1LATS1CYP3A4NAMPTTDP1
SCHEMBL6241361 0.81 IDO1 (0.41) IDO1LATS1CYP3A4NAMPTLMNA
SCHEMBL6235868 0.81 IDO1 (0.41) IDO1LATS1CYP3A4NAMPTTDP1
SCHEMBL3091847 0.79 IDO1 (0.41) IDO1CYP3A4TDP1LMNAMEN1
SCHEMBL3362475 0.73 SLC22A12 (0.36)
SCHEMBL7866002 0.72 IDO1 (0.47) IDO1LATS1CYP3A4NAMPTTDP1
SCHEMBL25471692 0.72 CTSS (0.47) IDO1LMNAMEN1KMT2ATSHR

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 9 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-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
EP-2205600-A1 CARBACEPHEM ß -LACTAM ANTIBIOTICS Achaogen, Inc. (US) 2010-07-14 EP 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
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 IDO1 2341/4885LATS1 3895/4885CYP3A4 150/4885

“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.