SCHEMBL5797

SCHEMBL5797

CS(=O)(=O)NC(=O)CCCc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
LTA4H P09960 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
FFAR1 O14842 2/20 0.43
MAOB P27338 1/20 0.43
F2 P00734 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42

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
SCHEMBL12049 0.91 LTA4H (0.50) EPHX2CYP4F2CYP4A11LTA4HFFAR1
SCHEMBL6158 0.87 LTA4H (0.46) CYP4F2CYP4A11LTA4HADAMTS4MMP13
SCHEMBL11898793 0.86 CYP4F2 (0.51) CYP4F2CYP4A11LTA4HADAMTS4MMP13
SCHEMBL6212 0.86 MAOB (0.54) ADAMTS4MMP13FFAR1MAOBFFAR4
SCHEMBL5811 0.84 MMP2 (0.54) CYP4F2CYP4A11LTA4HFFAR1KCNH2
SCHEMBL6073 0.80 L3MBTL1 (0.56) CYP4F2CYP4A11LTA4HFFAR1
SCHEMBL11899994 0.79 LTA4H (0.61) LTA4HFFAR1
SCHEMBL6109 0.79 ADAM17 (0.54) CYP4F2CYP4A11LTA4HFFAR1
SCHEMBL10689 0.77 CYSLTR1 (0.66) FFAR1
SCHEMBL12984790 0.77 ADAMTS4 (0.42) CYP4F2CYP4A11LTA4HADAMTS4MMP13

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 5 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-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP 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 EPHX2 527/4885CYP4F2 3646/4885CYP4A11 4699/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A EPHX2 249/4885CYP4F2 3971/4885CYP4A11 4790/4885

“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.