SCHEMBL21590670

SCHEMBL21590670

C=CCOC1(CC(=C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H2 P55055 1/20 0.32
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL21590975 0.88 USP2 (0.33) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL23150887 0.86 USP2 (0.34) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL21590782 0.81 NR1H2 (0.34) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL21590671 0.78 USP2 (0.37) USP2SMN1; SMN2NR1H2
SCHEMBL21590903 0.72 NR1H2 (0.35) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL2947368 0.72 USP2 (0.41) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL21590750 0.71 NR1H2 (0.36) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL16049641 0.70 USP2 (0.42) USP2SMN1; SMN2
SCHEMBL15475694 0.69 USP2 (0.43) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL22041872 0.69 SMN1; SMN2 (0.36) USP2SMN1; SMN2NR1H2DDB1CRBN

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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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 (2 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 USP2 3807/4885SMN1; SMN2 3404/4885NR1H2 608/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 USP2 3012/4885SMN1; SMN2 2455/4885NR1H2 1131/4885

“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.