SCHEMBL2362486

SCHEMBL2362486

CC(C)(C)c1cc(Br)c(C(=O)O)c(Br)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.61
GLRB P48167 1/20 0.61
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
TTR P02766 1/20 0.38
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSPA5 P11021 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL2436993 0.81 GLRA3 (0.65) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL2362201 0.78 GLRA3 (0.43) GLRA3GLRBCA2ALDH1A1TDP1
SCHEMBL2791325 0.77 GLRA3 (1.00) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL30009277 0.77 TTR (0.52) GLRA3GLRBCA2CA1TDP1
SCHEMBL124390 0.77 TTR (0.52) GLRA3GLRBCA2CA1TDP1
SCHEMBL27894740 0.75 PTPN1 (0.50) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL9150051 0.74 CA2 (0.56) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL11780929 0.73 GLRA3 (0.77) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL19193904 0.72 GLRA3 (0.81) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL19194020 0.72 GLRA3 (0.68) GLRA3GLRBCA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 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 (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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B GLRA3 2459/4885GLRB 1601/4885CA2 4835/4885

“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.