SCHEMBL13095199

SCHEMBL13095199

CN(CCSCc1ncccc1SSc1cccnc1CSCCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
SSTR4 P31391 1/20 0.36
GBA1 P04062 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL3068314 0.91 GBA1 (0.37) PDK2SSTR4GBA1HTR2CSLC6A4
SCHEMBL3078848 0.86 PDK2 (0.37) PDK2SSTR4GBA1HTR2CSLC6A4
SCHEMBL3393132 0.78 IDO1 (0.41) KDM4EHPGDL3MBTL1
SCHEMBL3360367 0.77 KDM4E (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12306338 0.75 IDO1 (0.39) KDM4EHPGDL3MBTL1
SCHEMBL15670037 0.73 PDK2 (0.39) PDK2GBA1HTR2CSLC6A4KDM4E
SCHEMBL30880790 0.72 PDK2 (0.42) PDK2SSTR4GBA1CHRM2CHRM4
SCHEMBL22551824 0.72 PDK2 (0.42) PDK2SSTR4GBA1CHRM2CHRM4
SCHEMBL3091847 0.70 IDO1 (0.41) KDM4EHPGDL3MBTL1
SCHEMBL14959710 0.70 PDE5A (0.36) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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 4 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
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 (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 PDK2 3524/4885SSTR4 2023/4885GBA1 1233/4885

“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.