SCHEMBL142209

SCHEMBL142209

C#CC[C@@]1(C(C)(C)C)C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
KMT2A Q03164 2/20 0.38
ACACB O00763 9/20 0.37
ACACA Q13085 6/20 0.37
NAMPT P43490 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL145227 1.00 DRD2 (0.39) DRD2KMT2AACACBACACANAMPT
SCHEMBL141254 0.86 DRD2 (0.41) DRD2KMT2AACACBACACANAMPT
SCHEMBL142693 0.86 DRD2 (0.41) DRD2KMT2AACACBACACANAMPT
SCHEMBL142444 0.83 DRD2 (0.39) DRD2KMT2AACACBACACANAMPT
SCHEMBL144373 0.83 DRD2 (0.39) DRD2KMT2AACACBACACANAMPT
SCHEMBL143514 0.81 CTSK (0.41) KMT2ACTSK
SCHEMBL147425 0.81 CTSK (0.41) KMT2ACTSK
SCHEMBL142161 0.81 CTSK (0.41) KMT2ACTSK
SCHEMBL139448 0.81 CTSK (0.41) KMT2ACTSK
SCHEMBL141440 0.77 DRD2 (0.40) DRD2KMT2AACACBACACANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 DRD2 198/4885KMT2A 4780/4885ACACB 3854/4885

“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.