SCHEMBL22932341

SCHEMBL22932341

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(C#N)c(N(C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ LIPE Q05469 4/20 0.32
▸ PTGIR P43119 1/20 0.31
▸ MT-CO2 P00403 1/20 0.31
▸ AR P10275 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ CACNA1C Q13936 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
SCHEMBL22932337 0.81 JAK3 (0.41) LIPE
SCHEMBL24755151 0.81 HDAC3 (0.33) LIPE
SCHEMBL22931775 0.80 RXRA (0.32) XDHRXRANR1H2NR1H3LIPE
SCHEMBL29420832 0.80 RXRA (0.32) XDHRXRANR1H2NR1H3LIPE
SCHEMBL29806156 0.80 LIPE (0.37) RXRANR1H2NR1H3LIPEMT-CO2
SCHEMBL22931772 0.80 LIPE (0.37) RXRANR1H2NR1H3LIPEMT-CO2
SCHEMBL22932338 0.77 CNR1 (0.32) CACNA1GCACNA1BCACNA1C
SCHEMBL22931787 0.76 MT-CO2 (0.37) RXRANR1H2NR1H3LIPEMT-CO2
SCHEMBL22931811 0.74 MT-CO2 (0.35) RXRANR1H2NR1H3LIPEMT-CO2
SCHEMBL22932340 0.74 SYK (0.46) MT-CO2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER BASILEA PHARM INT AG (CH) 2022-12-22 — — US disclosed
WO-2021018869-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER Basilea Pharmaceutica International AG (CH) 2021-02-04 — — 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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER OXER1, CBR3, CCNY XDH 1039/4885RXRA 883/4885NR1H2 99/4885

“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.

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