SCHEMBL21806017

SCHEMBL21806017

CC(C)(C)OC(=O)N1CCN(CCS(N)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TLR8 Q9NR97 1/20 0.42
ACKR3 P25106 2/20 0.41
STS P08842 1/20 0.40
HPGD P15428 1/20 0.39
TERT O14746 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DTYMK P23919 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1901473 0.91 TLR8 (0.45) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL309615 0.86 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL8242595 0.84 USP2 (0.61) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL1652860 0.81 USP2 (0.42) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL1654121 0.81 ACKR3 (0.46) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL46682 0.81 USP2 (0.50) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL12644325 0.81 USP2 (0.50) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL22919673 0.81 USP2 (0.47) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL20873847 0.80 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM4CHRM1
Ammonia Solution, Strong SCHEMBL208691 0.80 USP2 (0.49) USP2SMN1; SMN2CHRM2CHRM4CHRM1

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-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-11-18 US disclosed
US-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-11-18 US disclosed
EP-3853212-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2021-07-28 EP disclosed
CN-113056455-A Isoxazole carboxamide compounds and uses thereof 诺华股份有限公司 2021-06-29 CN disclosed
WO-2020058913-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2020-03-26 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-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF SLC26A4, ALDH5A1, SLC8B1 USP2 4502/4885SMN1; SMN2 743/4885CHRM2 1664/4885

“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.