SCHEMBL7802104

SCHEMBL7802104

CCCCc1noc(C)c1COc1cc(C(=O)NC(C)CO)on1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.47
SMPD1 P17405 1/20 0.45
GABRA1 P14867 8/20 0.39

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
SCHEMBL7791577 1.00 GABRA5 (0.47) GABRA5SMPD1GABRA1
SCHEMBL7791584 1.00 GABRA5 (0.47) GABRA5SMPD1GABRA1
SCHEMBL2673312 0.92 SMPD1 (0.48) GABRA5SMPD1GABRA1
SCHEMBL15252623 0.86 GABRA5 (0.41) GABRA5SMPD1GABRA1
SCHEMBL15252469 0.86 GABRA5 (0.41) GABRA5SMPD1GABRA1
SCHEMBL15252512 0.86 GABRA5 (0.41) GABRA5SMPD1GABRA1
SCHEMBL286372 0.85 GABRA5 (0.44) GABRA5GABRA1
SCHEMBL2628060 0.85 GABRA5 (0.44) GABRA5GABRA1
SCHEMBL286080 0.85 GABRA5 (0.44) GABRA5GABRA1
SCHEMBL286209 0.84 GABRA5 (0.44) GABRA5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398782-B1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US disclosed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 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-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 GABRA5 1/4885SMPD1 4587/4885GABRA1 2/4885

“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.