SCHEMBL21590786

SCHEMBL21590786

C=C(F)CC1(O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H2 P55055 2/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
DPP4 P27487 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6914197 0.86 USP2 (0.40) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL23150890 0.86 USP2 (0.40) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL21590671 0.85 USP2 (0.37) USP2SMN1; SMN2NR1H2DPP4ALOX5AP
SCHEMBL18696436 0.82 USP2 (0.42) USP2SMN1; SMN2NR1H2DPP4ALOX5AP
SCHEMBL570830 0.82 USP2 (0.42) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL571404 0.82 USP2 (0.42) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL31735249 0.81 NR1H2 (0.38) USP2SMN1; SMN2NR1H2DDB1CRBN
SCHEMBL28909469 0.80 DDB1 (0.31) USP2SMN1; SMN2F13A1TGM2ALOX5AP
SCHEMBL20826636 0.79 USP2 (0.40) USP2SMN1; SMN2NR1H2ALOX5APFEN1
SCHEMBL16340420 0.78 NR1H2 (0.46) 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 5 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
CN-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 CN 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.