SCHEMBL10689

SCHEMBL10689

CS(=O)(=O)NC(=O)CCCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.66
CYSLTR2 Q9NS75 5/20 0.66
FFAR1 O14842 1/20 0.63
AKR1B1 P15121 1/20 0.63
ALOX5 P09917 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.53

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
SCHEMBL8712492 0.82 CYSLTR1 (0.75) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL8646512 0.79 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8648449 0.79 FFAR1 (0.76) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL22209124 0.79 FFAR1 (0.80) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL9865885 0.79 GPBAR1 (0.57) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL8834916 0.79 FFAR1 (0.83) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL8712313 0.78 CYSLTR1 (0.73) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL11899994 0.78 LTA4H (0.61) FFAR1
SCHEMBL8709593 0.78 FFAR1 (0.81) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL9054244 0.78 CYSLTR1 (0.60) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5

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 CYSLTR1 948/4885CYSLTR2 1353/4885FFAR1 1313/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A CYSLTR1 1740/4885CYSLTR2 2073/4885FFAR1 2319/4885

“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.