SCHEMBL5791

SCHEMBL5791

CS(=O)(=O)NC(=O)CCCc1ccc(OCC2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.48
SCN9A Q15858 3/20 0.45
RORC P51449 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
LTA4H P09960 1/20 0.42
MCHR1 Q99705 1/20 0.41
SLC2A1 P11166 1/20 0.38

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
SCHEMBL11593 0.89 LTA4H (0.45) ACACBSCN9ACYP1A2CYP3A4CYP2D6
SCHEMBL6073 0.77 L3MBTL1 (0.56) ACACBCYP1A2CYP2D6LTA4H
SCHEMBL11899994 0.76 LTA4H (0.61) LTA4H
SCHEMBL23642869 0.75 ACACB (0.46) ACACBRORCCYP3A4LTA4HMCHR1
SCHEMBL5790 0.74 ACACB (0.48) ACACBRORCMCHR1
SCHEMBL6158 0.74 LTA4H (0.46) HPGDLTA4H
SCHEMBL12049 0.73 LTA4H (0.50) ACACBLTA4H
SCHEMBL5797 0.73 EPHX2 (0.53) LTA4H
SCHEMBL6212 0.71 MAOB (0.54)
SCHEMBL5811 0.71 MMP2 (0.54) LTA4H

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 ACACB 565/4885SCN9A 3738/4885RORC 3949/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A ACACB 178/4885SCN9A 3818/4885RORC 3188/4885

“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.