SCHEMBL139448

SCHEMBL139448

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.41
BTK Q06187 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 9/20 0.35
KCNA3 P22001 1/20 0.35
CYP2C9 P11712 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL147425 1.00 CTSK (0.41) CTSKBTKCA1CA2KMT2A
SCHEMBL142161 1.00 CTSK (0.41) CTSKBTKCA1CA2KMT2A
SCHEMBL143514 1.00 CTSK (0.41) CTSKBTKCA1CA2KMT2A
SCHEMBL145227 0.81 DRD2 (0.39) CTSKKMT2A
SCHEMBL142209 0.81 DRD2 (0.39) CTSKKMT2A
SCHEMBL145030 0.75
SCHEMBL140692 0.75
SCHEMBL138285 0.75
SCHEMBL26650258 0.75 CTSK (0.43) CTSKBTKCA1CA2KMT2A
SCHEMBL142159 0.73 CTSK (0.38) CTSKBTKCA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US 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 CTSK 1607/4885BTK 2559/4885CA1 4859/4885

“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.