SCHEMBL29864929

SCHEMBL29864929

CC(C)(C)OC(=O)N1CCC(CO)C1.CC(C)(C)OC(=O)N1CCO[C@H](CO)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDK1 Q15118 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ NR1D1 P20393 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ EPHA2 P29317 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL553919 0.91 USP2 (0.53) RECQLNR1H2USP2SMN1; SMN2PDK1
SCHEMBL304804 0.91 USP2 (0.53) RECQLNR1H2USP2SMN1; SMN2PDK1
SCHEMBL304803 0.91 USP2 (0.53) RECQLNR1H2USP2SMN1; SMN2PDK1
SCHEMBL8904969 0.91 USP2 (0.53) RECQLNR1H2USP2SMN1; SMN2PDK1
SCHEMBL514696 0.87 NR1H2 (0.62) RECQLNR1H2USP2SMN1; SMN2HPGD
SCHEMBL515486 0.87 NR1H2 (0.62) RECQLNR1H2USP2SMN1; SMN2HPGD
SCHEMBL621267 0.87 NR1H2 (0.62) RECQLNR1H2USP2SMN1; SMN2HPGD
SCHEMBL23592622 0.84 RECQL (0.59) RECQLNR1H2USP2SMN1; SMN2HPGD
SCHEMBL17749330 0.84 RECQL (0.59) RECQLNR1H2USP2SMN1; SMN2HPGD
SCHEMBL306580 0.83 PDK1 (0.52) RECQLNR1H2USP2SMN1; SMN2PDK1

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-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-01-17 — — US disclosed
US-20220324875-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-13 — — US 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-20220324875-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3CB RECQL 3273/4885NR1H2 3591/4885USP2 4133/4885
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity CDK3, CDK13, AKT3 RECQL 3507/4885NR1H2 3582/4885USP2 3241/4885

“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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