SCHEMBL22855650

SCHEMBL22855650

COc1ccc(C(OC[C@H](COC(=O)NCCCNC(=O)CO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MMP12 P39900 3/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL22830305 0.92 — —
SCHEMBL22855462 0.90 LMNA (0.34) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL22887031 0.90 LMNA (0.33) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL21345093 0.88 — —
SCHEMBL22855480 0.88 CYP3A4 (0.32) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL22830334 0.85 — —
SCHEMBL22830213 0.85 — —
SCHEMBL22830259 0.85 — —
SCHEMBL26737801 0.85 CYP3A4 (0.30) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL22855505 0.85 CYP3A4 (0.33) LMNAKMT2ACYP3A4MAPTCYP2C9

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
EP-3763815-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA Daiichi Sankyo Company, Limited (JP) 2021-01-13 — — EP disclosed
US-20200407394-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-12-31 — — 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 (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-20200407394-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA G6PC1, GAA, GBA3 LMNA 241/4885KMT2A 3060/4885CYP3A4 4459/4885

“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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