SCHEMBL7787176

SCHEMBL7787176

CCC(Oc1ccccc1)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 2/20 0.61
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
HTT P42858 1/20 0.52
MAPT P10636 3/20 0.50
THRB P10828 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL14437333 0.86 ALDH1A1 (0.61) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL29259352 0.85 ALDH1A1 (0.59) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL10722581 0.84 PPARG (0.58) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL10361229 0.82 ALDH1A1 (0.59) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL4651839 0.82 SMN1; SMN2 (0.64) ALDH1A1TSHR
SCHEMBL295888 0.82 SMN1; SMN2 (0.64) ALDH1A1TSHR
SCHEMBL7787613 0.81 HDAC2 (0.43) ALDH1A1TSHR
SCHEMBL10383095 0.81 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL10938219 0.81 TSHR (0.58) ALDH1A1TSHRNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL11617632 0.80 SMN1; SMN2 (0.62) ALDH1A1TSHR

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 3 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
WO-2009008905-A1 HYDROXAMIC ACID DERIVATIVES OF PHENOXY-ACETIC ACIDS AND ANALOGS USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARMA, LLC. 2009-01-15 WO 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 ALDH1A1 406/4885TSHR 2592/4885NPSR1 2932/4885

“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.