SCHEMBL11943

SCHEMBL11943

CS(=O)(=O)NC(=O)CCCc1ccc(OCc2nc(-c3cccnc3)no2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
PSMB8 P28062 1/20 0.53
PSMB5 P28074 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL5860 0.90 FFAR1 (0.67) FFAR1POLBMAPTMAPK1SMN1; SMN2
SCHEMBL11898793 0.81 CYP4F2 (0.51) LMNAMAPK1SMN1; SMN2HTT
SCHEMBL11942 0.79 PSMB5 (0.55) FFAR1POLBMAPTPSMB8PSMB5
SCHEMBL11327 0.78 FFAR1 (0.44) FFAR1POLBMAPTADRB2
SCHEMBL5948 0.76 FFAR1 (0.45) FFAR1ALDH1A1
SCHEMBL5797 0.75 EPHX2 (0.53) FFAR1
SCHEMBL6109 0.74 ADAM17 (0.54) FFAR1MAPTLMNA
SCHEMBL11944 0.74 MAPT (0.53) FFAR1POLBMAPTPSMB8PSMB5
SCHEMBL4107632 0.73 RAB9A (0.76) POLBMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL5959943 0.73 RAB9A (0.73) POLBMAPTLMNAMAPK1SMN1; SMN2

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 FFAR1 1313/4885POLB 1774/4885MAPT 4745/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A FFAR1 2319/4885POLB 2631/4885MAPT 4708/4885

“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.