SCHEMBL16084696

SCHEMBL16084696

CC(=O)NC1[C@H](OC2[C@@H](OC(C)=O)C(COC(C)=O)O[C@@H](C)[C@H]2OC(=O)c2ccccc2)OC(COC(C)=O)[C@@H](O[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]2O[C@@H]2OC(C)[C@@H](OC(C)=O)C(OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PAX8 Q06710 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA12 O43570 11/20 0.44
▸ CA1 P00915 11/20 0.44
▸ CA2 P00918 11/20 0.44
▸ CA9 Q16790 11/20 0.44
▸ CA14 Q9ULX7 6/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12871568 0.94 LMNA (0.50) LMNAKMT2APOLBALDH1A1PAX8
SCHEMBL12983536 0.89 LMNA (0.50) LMNAKMT2APOLBALDH1A1PRKCA
SCHEMBL13814376 0.88 LMNA (0.46) LMNAKMT2APOLBALDH1A1PAX8
SCHEMBL15417845 0.85 LMNA (0.46) LMNAKMT2APOLBALDH1A1PRKCA
SCHEMBL12885740 0.83 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL13038846 0.83 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL12871553 0.83 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL13038834 0.83 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL19731870 0.82 LMNA (0.48) LMNAKMT2APOLBALDH1A1PRKCA
SCHEMBL19731895 0.81 LMNA (0.48) LMNAKMT2APOLBALDH1A1PRKCA

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
US-9464116-B2 Glycoconjugates, glycoamino acids, intermediates thereto, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-10-11 — — US disclosed
US-20140271817-A1 NOVEL GLYCOCONJUGATES, GLYCOAMINO ACIDS, INTERMEDIATES THERETO, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-09-18 — — 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-20140271817-A1 NOVEL GLYCOCONJUGATES, GLYCOAMINO ACIDS, INTERMEDIATES THERETO, AND USES THEREOF SIGLEC7, B3GAT3, FUT6 LMNA 3771/4885KMT2A 2829/4885POLB 4632/4885

“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.

Send feedback