SCHEMBL286337

SCHEMBL286337

CCCCc1noc(C)c1COc1cc(C(=O)O)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.39
HCAR3 P49019 3/20 0.39
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
GABRA5 P31644 10/20 0.35
ALPL P05186 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL286460 0.89 ALPL (0.43) GABRA5ALPLL3MBTL1
SCHEMBL286160 0.87 GABRA5 (0.42) GABRA5
SCHEMBL286161 0.87 POLB (0.40) GABRA5L3MBTL1
SCHEMBL286463 0.86 ALDH1A1 (0.34) HCAR2GAAHTTGABRA5ALPL
SCHEMBL286394 0.86 L3MBTL1 (0.35) GABRA5L3MBTL1
SCHEMBL286340 0.85 GABRA5 (0.44) GABRA5ALPL
SCHEMBL286582 0.84 KMT2A (0.38) HCAR2GAAHTTGABRA5ALPL
SCHEMBL286162 0.84 GABRA5 (0.43) GABRA5
SCHEMBL286328 0.84 KMT2A (0.38) HCAR2GAAHTTGABRA5ALPL
SCHEMBL286080 0.83 GABRA5 (0.44) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US claimed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 HCAR2 202/4885HCAR3 264/4885GAA 1650/4885

“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.