SCHEMBL20766671

SCHEMBL20766671

COC(=O)c1ccc(C#N)c(O[Si](C)(C)C(C)(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 7/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 8/20 0.37
▸ HPGD P15428 5/20 0.37
▸ CRHBP P24387 2/20 0.37
▸ CRHR2 Q13324 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL30313214 1.00 GAA (0.41) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL30313215 1.00 GAA (0.41) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20766901 0.84 GAA (0.36) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2427915 0.81 GAA (0.49) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2249834 0.80 SMN1; SMN2 (0.38) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL20766672 0.73 GAA (0.47) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12553220 0.73 DRD2 (0.37) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL31184685 0.73 DRD2 (0.37) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL31305200 0.72 HPGD (0.46) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3280072 0.72 GAA (0.46) GAAALDH1A1CYP1A2CYP3A4CYP2C9

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-10927104-B2 Ether compounds and uses thereof BIOTHERYX, INC. (US) 2021-02-23 — — US disclosed
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. 2020-07-23 — — US disclosed
EP-3672955-A1 ETHER COMPOUNDS AND USES THEREOF Biotheryx Inc. (US) 2020-07-01 — — EP disclosed
CN-111247138-A Ether compound and use thereof 拜欧赛里克斯公司 2020-06-05 — — CN disclosed
WO-2019040274-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. (US) 2019-02-28 — — 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-10927104-B2 Ether compounds and uses thereof EPCAM, ICAM1, SELE GAA 3110/4885ALDH1A1 1945/4885CYP1A2 3444/4885
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF EPCAM, ICAM1, SELE GAA 3110/4885ALDH1A1 1945/4885CYP1A2 3444/4885

“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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