SCHEMBL22855704

SCHEMBL22855704

COc1ccc(C(OC[C@@H](O)COC(=O)NCCNC(=O)[C@H](CCCCNC(=O)CO[C@@H]2O[C@H](COC(C)=O)[C@H](CC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)NC(=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)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.32
▸ MMP12 P39900 2/20 0.32
▸ MMP9 P14780 1/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ SIRT3 Q9NTG7 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
SCHEMBL22830139 0.89 TDP1 (0.33) LMNAKMT2AALDH1A1CYP3A4MAPT
SCHEMBL22855701 0.89 LMNA (0.45) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL22886728 0.86 TDP1 (0.33) LMNAALDH1A1CYP3A4MAPTCYP2C19
SCHEMBL22855721 0.84 LMNA (0.41) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL22855446 0.82 LMNA (0.33) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL22830302 0.82 LMNA (0.31) LMNASIRT2SIRT1SIRT3
SCHEMBL22855538 0.81 POLB (0.41) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL22830211 0.81 LMNA (0.36) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL29934233 0.78 LMNA (0.40) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL22886902 0.78 POLB (0.39) LMNAKMT2APOLBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3060/4885POLB 242/4885

“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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