SCHEMBL22855505

SCHEMBL22855505

COc1ccc(C(OC[C@H]2O[C@@H](OCCCNC(=O)CNC(=O)OCC(COP(OCCC#N)N(C(C)C)C(C)C)OC(=O)NCC(=O)NCCCO[C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ MMP12 P39900 3/20 0.31
▸ MMP9 P14780 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL22887031 0.95 LMNA (0.33) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL22855480 0.93 CYP3A4 (0.32) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL26737801 0.90 CYP3A4 (0.30) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL22830076 0.89 — —
SCHEMBL22855532 0.87 LMNA (0.38) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL21344301 0.85 — —
SCHEMBL22855650 0.85 LMNA (0.36) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL22855462 0.84 LMNA (0.34) CYP3A4MAPTCYP2C9CYP2C19LMNA
SCHEMBL29934231 0.84 — —
SCHEMBL22830131 0.84 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220378920-A1 CONJUGATE OF GalNAc-OLIGONUCLEOTIDE FOR DELIVERY TO LIVER AND MANUFACTURING METHOD THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-12-01 — — US disclosed
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 (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-20200407394-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA G6PC1, GAA, GBA3 CYP3A4 4459/4885MAPT 863/4885CYP2C9 4405/4885
US-20220378920-A1 CONJUGATE OF GalNAc-OLIGONUCLEOTIDE FOR DELIVERY TO LIVER AND MANUFACTURING METHOD THEREOF CSGALNACT1, GALNT6, GALNT14 CYP3A4 2402/4885MAPT 2758/4885CYP2C9 2224/4885

“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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