SCHEMBL22931811

SCHEMBL22931811

CC(C)(C)OC(=O)N(c1ccc(C(F)(F)F)cc1)c1nccc(Cl)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ LIPE Q05469 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ MRGPRX4 Q96LA9 3/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ SSTR4 P31391 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
SCHEMBL22932348 0.89 MT-CO2 (0.45) MT-CO2GAALMNAALDH1A1HPGD
SCHEMBL22931813 0.89 MT-CO2 (0.33) MT-CO2GAALIPELMNAALDH1A1
SCHEMBL22931809 0.87 KDM4E (0.40) MT-CO2GAALIPELMNAALDH1A1
SCHEMBL22931787 0.78 MT-CO2 (0.37) MT-CO2GAALIPELMNARXRA
SCHEMBL29420832 0.75 RXRA (0.32) MT-CO2LIPEALDH1A1RXRANR1H2
SCHEMBL22931772 0.75 LIPE (0.37) MT-CO2LIPELMNAALDH1A1RXRA
SCHEMBL22931775 0.75 RXRA (0.32) MT-CO2LIPEALDH1A1RXRANR1H2
SCHEMBL29806156 0.75 LIPE (0.37) MT-CO2LIPELMNAALDH1A1RXRA
SCHEMBL22932341 0.74 XDH (0.33) MT-CO2LIPEALDH1A1RXRANR1H2
SCHEMBL22931784 0.73 TRPM8 (0.33) GAALMNAALDH1A1RXRANR1H2

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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER BASILEA PHARM INT AG (CH) 2022-12-22 — — US disclosed
EP-4003983-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER Basilea Pharmaceutica International AG (CH) 2022-06-01 — — EP disclosed
CN-114174291-A 1,2, 4-oxadiazol-5-one derivatives for the treatment of cancer 巴斯利尔药物国际股份公司 2022-03-11 — — CN 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 MT-CO2 1046/4885GAA 4828/4885LIPE 4733/4885

“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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