SCHEMBL3386754

SCHEMBL3386754

CC(C)(C)OC(=O)NC1CCN(CCOS(C)(=O)=O)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33
CTSK P43235 2/20 0.33
KCNA3 P22001 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HRH2 P25021 4/20 0.32
HRH1 P35367 4/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
DRD2 P14416 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
PADI4 Q9UM07 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
SCHEMBL3386750 1.00 CCR5 (0.33) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL3383779 0.87 CTSK (0.36) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL3354631 0.87 CTSK (0.36) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL3383782 0.87 CTSK (0.36) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL3352307 0.87 CTSK (0.36) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL3352854 0.81 CTSK (0.36) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL3357087 0.81 CTSK (0.36) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL13387530 0.81 CTSK (0.36) CCR5CTSKKCNA3MAOAMAOB
SCHEMBL621767 0.76 KCNA3 (0.51) CCR5CTSKKCNA3CA1CA2
SCHEMBL4436916 0.76 CTSK (0.38) CTSKCA1CA2

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 CCR5 1437/4885CTSK 512/4885KCNA3 1598/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 CCR5 1437/4885CTSK 512/4885KCNA3 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.