SCHEMBL17465330

SCHEMBL17465330

CC(=O)NC1[C@H](O[C@@H]2C(OC(C)=O)[C@H](O[C@@H]3C(COC(C)=O)C[C@@H](OCc4ccccc4)C(OC(C)=O)[C@H]3C)OC(COC(C)=O)[C@@H]2OC(C)=O)OC(COC(C)=O)[C@@H](O[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2OC(C)=O)[C@@H]1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MMP12 P39900 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ PRKCA P17252 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ CA12 O43570 8/20 0.38
▸ CA1 P00915 8/20 0.38
▸ CA2 P00918 8/20 0.38
▸ CA9 Q16790 8/20 0.38

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
SCHEMBL15081192 0.90 POLB (0.58) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL15144323 0.82 POLB (0.54) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL15965627 0.79 POLB (0.47) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL16153927 0.78 POLB (0.59) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL15965614 0.78 POLB (0.46) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL15965625 0.77 POLB (0.44) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL15965622 0.77 POLB (0.46) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL8931470 0.76 POLB (0.79) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL21097453 0.76 POLB (0.79) LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL8931476 0.76 POLB (0.79) LMNAKMT2APOLBALDH1A1CYP2D6

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-20160024129-A1 SYNTHESIS OF NEW SIALOOLIGOSACCHARIDE DERIVATIVES GLYCOM A/S (DK) 2016-01-28 — — 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-20160024129-A1 SYNTHESIS OF NEW SIALOOLIGOSACCHARIDE DERIVATIVES FUCA1, FUT5, FUCA2 LMNA 2081/4885KMT2A 3800/4885POLB 3885/4885

“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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