SCHEMBL286484

SCHEMBL286484

CCCCc1noc(CO)c1COc1cc(C(=O)O)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.37
GABRA5 P31644 2/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32

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
SCHEMBL286035 0.90 GABRA5 (0.34) NR1H4GABRA5
SCHEMBL286369 0.88 NR1H4 (0.40) NR1H4GABRA5
SCHEMBL286326 0.84 GABRA5 (0.37) GABRA5
SCHEMBL285995 0.84 GABRA5 (0.43) GABRA5
SCHEMBL286377 0.78 GABRA5 (0.39) GABRA5
SCHEMBL536026 0.77 MAPT (0.48) GABRA5
SCHEMBL286094 0.77 GABRA5 (0.50) NR1H4GABRA5
SCHEMBL286431 0.77 GABRA5 (0.50) GABRA5
SCHEMBL286102 0.76 KDM5A (0.32) NR1H4GABRA5
SCHEMBL286142 0.76 GABRA1 (0.43) 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 NR1H4 369/4885GABRA5 1/4885PKM 1191/4885

“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.