SCHEMBL3354937

SCHEMBL3354937

CC(C)(C)OC(=O)N[C@@H]1CCN(CCCS(=O)(=O)O)C[C@@H]1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
CCR5 P51681 1/20 0.36
KCNA3 P22001 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SSTR4 P31391 3/20 0.34
SSTR1 P30872 1/20 0.34
HTR4 Q13639 2/20 0.33
DRD2 P14416 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL4556164 0.83 CTSK (0.40) CTSKHRH2HRH1CCR5KCNA3
SCHEMBL3352854 0.82 CTSK (0.36) CTSKHRH2HRH1CCR5KCNA3
SCHEMBL13387530 0.82 CTSK (0.36) CTSKHRH2HRH1CCR5KCNA3
SCHEMBL3357087 0.82 CTSK (0.36) CTSKHRH2HRH1CCR5KCNA3
SCHEMBL3469395 0.81 KCNA3 (0.51) CTSKHRH2HRH1CCR5KCNA3
SCHEMBL1525911 0.78 HRH3 (0.46) CTSKCCR5KCNA3CA1CA2
SCHEMBL24037072 0.77 USP30 (0.36) CTSKHRH2HRH1CCR5KCNA3
SCHEMBL28826192 0.77 SSTR4 (0.47) CTSKCA1CA2SSTR4SSTR1
SCHEMBL30946486 0.75 CTSK (0.41) CTSKMAOAMAOBCA1CA2
SCHEMBL24478179 0.75 CTSK (0.41) CTSKMAOAMAOBCA1CA2

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-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 CTSK 512/4885HRH2 161/4885HRH1 419/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 CTSK 512/4885HRH2 161/4885HRH1 419/4885

“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.