SCHEMBL13129834

SCHEMBL13129834

CO[C@@H]1OC(C)[C@H](OCc2ccccc2)[C@H](O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1O[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ POLB P06746 2/20 0.53
▸ PTPN1 P18031 5/20 0.45
▸ PTPN2 P17706 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ SSTR1 P30872 1/20 0.43
▸ SSTR2 P30874 1/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ SSTR3 P32745 1/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MDM2 Q00987 1/20 0.40

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
SCHEMBL15975380 1.00 LMNA (0.55) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL10608406 0.93 LMNA (0.57) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL29220835 0.86 CYP2D6 (0.51) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL29220838 0.86 CYP2D6 (0.51) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL13130039 0.85 LMNA (0.43) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL15975416 0.85 LMNA (0.43) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL22677447 0.85 SSTR1 (0.51) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL22677754 0.85 SSTR1 (0.51) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL22677688 0.84 CYP2D6 (0.51) LMNAKMT2APOLBPTPN1PTPN2
SCHEMBL8831104 0.84 POLB (0.57) 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-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X INSTITUT PASTEUR (FR) 2010-09-23 — — 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-20100239584-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3A AND X ST3GAL3, SI, STT3A LMNA 3255/4885KMT2A 3430/4885POLB 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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