SCHEMBL7795694

SCHEMBL7795694

O=C(NO)[C@@H](CCCCOCc1ccccc1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.51
MMP8 P22894 4/20 0.51
MMP9 P14780 3/20 0.51
MMP1 P03956 4/20 0.48
HDAC2 Q92769 3/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
CTRC Q99895 1/20 0.42
EPHX2 P34913 1/20 0.40

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
SCHEMBL1258248 0.85 PPARG (0.44) MMP3MMP8MMP9MMP1PPARG
SCHEMBL1258247 0.85 PPARG (0.44) MMP3MMP8MMP9MMP1PPARG
SCHEMBL7797270 0.85 CYP2D6 (0.49) MMP3MMP8MMP9MMP1
SCHEMBL11019274 0.81 PPARG (0.55) PPARGPPARACTRC
SCHEMBL10849403 0.76 PPARG (0.56) PPARGPPARACTRC
SCHEMBL7787613 0.76 HDAC2 (0.43) HDAC2SMN1; SMN2PPARGPPARA
SCHEMBL1258303 0.75 CYP2D6 (0.53)
SCHEMBL1258301 0.75 CYP2D6 (0.53)
SCHEMBL9614318 0.74 PPARG (0.59) PPARGPPARACTRC
SCHEMBL8879002 0.74 MMP3 (0.49) MMP3MMP8MMP9MMP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879911-B2 2-(4-Fluorophenoxy-N-hydroxyacetamide where the \"oxy\" can also be sulfonyl, sulfamyl or sulfinyl; enzyme inhibitors of the \"lethal factor\" enzyme released by bacillus anthraci that splits an essential peptide needed by mammals for signal transmission; antidotes; biological warfare NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-01 US disclosed
US-20080188565-A1 Hydroxamic acid derivatives of phenoxy-acetic acids and analogs useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2008-08-07 US 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 (1 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-20080188565-A1 Hydroxamic acid derivatives of phenoxy-acetic acids and analogs useful as therapeutic agents for treating anthrax poisoning ANTXR2, HAAO, PAOX MMP3 1146/4885MMP8 589/4885MMP9 1253/4885

“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.