SCHEMBL5806

SCHEMBL5806

CCOC(=O)[C@@](C)(CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.48
LIPG Q9Y5X9 5/20 0.48
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
F2 P00734 1/20 0.43
F11 P03951 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
SLC6A2 P23975 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL6142 1.00 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL11961984 0.85 LIPG (0.54) LPLLIPGCA1CA2CA9
SCHEMBL5978 0.85 F11 (0.52) LPLLIPGCA1CA2CA9
SCHEMBL5984 0.85 F11 (0.52) LPLLIPGCA1CA2CA9
SCHEMBL5979 0.80 SLC6A2 (0.49) SLC6A2MMP12MMP13
SCHEMBL10487 0.80 SLC6A2 (0.49) SLC6A2MMP12MMP13
SCHEMBL5710 0.80 SLC6A2 (0.49) SLC6A2MMP12MMP13
SCHEMBL13196327 0.78 FFAR1 (0.50) CA1CA2CA9
SCHEMBL15454067 0.78 FFAR1 (0.50) CA1CA2CA9
SCHEMBL5590 0.76 SLC6A2 (0.43) LPLLIPGSLC6A2MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT LPL 619/4885LIPG 665/4885CA1 2035/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A LPL 1094/4885LIPG 900/4885CA1 2659/4885

“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.