SCHEMBL7787613

SCHEMBL7787613

O=C(NO)C(CCO)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.43
PPARG P37231 10/20 0.43
PPARA Q07869 10/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CTSK P43235 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
SCHEMBL940490 0.82 PPARG (0.58) PPARGPPARA
SCHEMBL7787176 0.81 ALDH1A1 (0.61) TSHRALDH1A1
SCHEMBL9417307 0.80 TSHR (0.46) PPARGPPARATSHRALDH1A1MTNR1A
SCHEMBL10701164 0.79 PPARG (0.45) PPARGPPARA
SCHEMBL8669614 0.77 PPARG (0.52) HDAC2PPARGPPARAHDAC3HDAC4
SCHEMBL7795708 0.76 MMP13 (0.45) TSHRSMN1; SMN2
SCHEMBL7795694 0.76 MMP3 (0.51) HDAC2PPARGPPARASMN1; SMN2
SCHEMBL8662550 0.75 PPARG (0.50) HDAC2PPARGPPARAHDAC3HDAC4
SCHEMBL1257647 0.75 CYP2D6 (0.49)
SCHEMBL1257646 0.75 CYP2D6 (0.49)

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 HDAC2 226/4885PPARG 183/4885PPARA 119/4885

“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.