SCHEMBL2386516

SCHEMBL2386516

O=C(O)[C@@H]1O[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 3/20 0.54
FABP5 Q01469 3/20 0.54
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2386510 1.00 FABP7 (0.54) FABP7FABP5ALDH1A1TDP1HCAR2
SCHEMBL6816419 1.00 FABP7 (0.54) FABP7FABP5ALDH1A1TDP1HCAR2
SCHEMBL2386506 1.00 FABP7 (0.54) FABP7FABP5ALDH1A1TDP1HCAR2
Hydrochloric Acid SCHEMBL11207488 0.98 FABP7 (0.53) FABP7FABP5ALDH1A1TDP1HCAR2
SCHEMBL11652159 0.85 ALDH1A1 (0.43) FABP7FABP5ALDH1A1L3MBTL1KMT2A
Potassium Ion SCHEMBL11173137 0.85 FABP7 (0.47) FABP7FABP5ALDH1A1TDP1HCAR2
SCHEMBL6069978 0.83 HCAR2 (0.51) ALDH1A1TDP1HCAR2MAPK1L3MBTL1
SCHEMBL11174768 0.83 ALDH1A1 (0.47) FABP7FABP5ALDH1A1TDP1MAPK1
SCHEMBL16488184 0.83 ALDH1A1 (0.55) FABP7FABP5ALDH1A1TDP1HCAR2
SCHEMBL15325120 0.83 ALDH1A1 (0.55) FABP7FABP5ALDH1A1TDP1HCAR2

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-8013014-B2 Aza-peptide epoxides GEORGIA TECH RESEARCH CORPORATION (US) 2011-09-06 US disclosed
US-20060172952-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-03 US disclosed
US-7056947-B2 For inhibiting (cysteine) proteases/caspases; for treatment of viral infections, stroke, neurodegenerative disease, and inflammatory diseases GEORGIA TECH RESEARCH CORP. (US) 2006-06-06 US disclosed
US-20040048327-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-11 US disclosed
WO-2004005270-A1 AZA-PEPTIDE EPOXIDES GEORGIA TECH RESEARCH CORPORATION (US) 2004-01-15 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-20060172952-A1 Aza-peptide epoxides CAPN9, CAPNS1, IAPP FABP7 236/4885FABP5 2147/4885ALDH1A1 2999/4885
US-20040048327-A1 Aza-peptide epoxides ANPEP, ENPEP, TMPRSS15 FABP7 848/4885FABP5 2944/4885ALDH1A1 1762/4885

“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.