SCHEMBL12100577

SCHEMBL12100577

Cc1cnn(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.44
LIPG Q9Y5X9 12/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
FFAR1 O14842 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
F11 P03951 1/20 0.37
ESR2 Q92731 1/20 0.35
P4HB P07237 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
SCHEMBL2019320 0.81 LPL (0.41) LPLLIPGIRAK4FFAR1CA1
SCHEMBL2023563 0.80 LPL (0.49) LPLLIPGIRAK4FFAR1CA1
SCHEMBL20006903 0.76 LPL (0.53) LPLLIPGCA1CA2CA9
SCHEMBL12099753 0.76 LPL (0.45) LPLLIPGIRAK4FFAR1CA1
SCHEMBL15299275 0.75 HTT (0.49) LPLLIPGIRAK4CA1CA2
SCHEMBL15299280 0.73 LPL (0.45) LPLLIPGIRAK4FFAR1CA1
SCHEMBL228212 0.73 LPL (0.71) LPLLIPGCA1CA2CA9
SCHEMBL15299297 0.72 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL1839301 0.72 LPL (0.41) LPLLIPGIRAK4FFAR1CA1
SCHEMBL15986832 0.71 LPL (0.50) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683689-B1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2017-04-12 EP disclosed
US-8779148-B2 Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER INC. (US) 2014-07-15 US disclosed
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2014-02-27 US disclosed
EP-2683689-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-01-15 EP disclosed
US-8624034-B2 Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER INC. (US) 2014-01-07 US disclosed
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC 2012-09-13 US disclosed
WO-2012120397-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-09-13 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-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 LPL 671/4885LIPG 1488/4885IRAK4 744/4885
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 LPL 671/4885LIPG 1488/4885IRAK4 744/4885

“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.