SCHEMBL7794029

SCHEMBL7794029

ICC=CCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.42
NAAA Q02083 1/20 0.41
CA1 P00915 3/20 0.40
LTA4H P09960 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL641214 0.84 TSHR (0.56) TSHRIDO1AGXTCA1ALOX5
SCHEMBL8125435 0.84 TSHR (0.56) TSHRIDO1AGXTCA1ALOX5
SCHEMBL641213 0.84 TSHR (0.56) TSHRIDO1AGXTCA1ALOX5
SCHEMBL16878886 0.83 TSHR (0.50) TSHRIDO1AGXTNAAALTA4H
SCHEMBL15869130 0.83 TSHR (0.50) TSHRIDO1AGXTNAAALTA4H
SCHEMBL16878885 0.83 TSHR (0.50) TSHRIDO1AGXTNAAALTA4H
SCHEMBL18660678 0.81 TSHR (0.52) TSHRIDO1AGXTNAAACA1
SCHEMBL3438765 0.81 TSHR (0.52) TSHRIDO1AGXTNAAACA1
SCHEMBL265425 0.81 TSHR (0.52) TSHRIDO1AGXTNAAACA1
SCHEMBL25201918 0.80 TSHR (0.47) TSHRIDO1AGXTNAAACA1

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 TSHR 2592/4885IDO1 384/4885AGXT 6/4885

“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.