SCHEMBL3357087

SCHEMBL3357087

CC(C)(C)OC(=O)NC1CCN(CCOS(C)(=O)=O)CC1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 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
HRH2 P25021 4/20 0.34
HRH1 P35367 4/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SSTR4 P31391 3/20 0.34
SSTR1 P30872 1/20 0.34
DRD2 P14416 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PRKAA2 P54646 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
SCHEMBL3352854 1.00 CTSK (0.36) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL13387530 1.00 CTSK (0.36) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL3383782 0.86 CTSK (0.36) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL3383779 0.86 CTSK (0.36) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL3354631 0.86 CTSK (0.36) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL3352307 0.86 CTSK (0.36) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL4556164 0.83 CTSK (0.40) CTSKCCR5KCNA3HRH2HRH1
SCHEMBL3354937 0.82 CTSK (0.36) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL3386754 0.81 CCR5 (0.33) CTSKCCR5KCNA3MAOAMAOB
SCHEMBL3386750 0.81 CCR5 (0.33) CTSKCCR5KCNA3MAOAMAOB

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-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
WO-2009001126-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS ASTRAZENECA AB (SE) 2008-12-31 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 512/4885CCR5 1437/4885KCNA3 1598/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 CTSK 512/4885CCR5 1437/4885KCNA3 1598/4885

“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.