SCHEMBL296107

SCHEMBL296107

CCCCc1noc(C(O)C(O)c2ccccc2)c1COc1cc(C(=O)OC)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ASAH1 Q13510 1/20 0.32
ACER2 Q5QJU3 1/20 0.32
MAPK1 P28482 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
SCHEMBL286377 0.83 GABRA5 (0.39) GABRA5L3MBTL1ALDH1A1
SCHEMBL535992 0.82 GABRA5 (0.55) GABRA5
SCHEMBL2101397 0.81 GABRA5 (0.51) GABRA5
SCHEMBL286102 0.80 KDM5A (0.32) GABRA5CA12CA1CA2CA9
SCHEMBL286035 0.80 GABRA5 (0.34) GABRA5CA12CA1CA2CA9
SCHEMBL286369 0.76 NR1H4 (0.40) GABRA5NR1H4L3MBTL1
SCHEMBL285772 0.74 GABRA5 (0.42) GABRA5
SCHEMBL286709 0.74 KMT2A (0.40) GABRA5L3MBTL1ALDH1A1
SCHEMBL286289 0.73 GABRA5 (0.65) GABRA5
SCHEMBL286143 0.73 ALDH1A1 (0.35) GABRA5NR1H4L3MBTL1ALDH1A1MAPK1

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-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
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885CA12 4587/4885CA1 1243/4885

“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.