SCHEMBL2629584

SCHEMBL2629584

CC(=O)Nc1ccn([C@@H]2O[C@H](COP(OCCC#N)N(C(C)C)C(C)C)[C@H](OC(C)=O)C2OC(C)=O)c(=O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 6/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ P2RY2 P41231 2/20 0.33
▸ P2RY4 P51582 2/20 0.33
▸ GALR3 O60755 1/20 0.32
▸ ACHE P22303 2/20 0.32

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
SCHEMBL12537697 0.94 P2RY6 (0.33) P2RY6P2RY14LMNATHRBSMN1; SMN2
SCHEMBL6664446 0.83 P2RY2 (0.45) P2RY6P2RY14LMNATHRBSMN1; SMN2
SCHEMBL12990877 0.82 P2RY6 (0.32) P2RY6P2RY14NT5EMAPTP2RY2
SCHEMBL17706388 0.80 MAPT (0.32) MAPT
SCHEMBL26359881 0.79 P2RY6 (0.31) P2RY6P2RY14P2RY2
SCHEMBL24878606 0.79 TYMP (0.37) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL13715722 0.79 TYMP (0.37) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL3915198 0.79 TYMP (0.37) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL31229956 0.79 TYMP (0.37) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL29195406 0.79 TYMP (0.37) P2RY6P2RY14NT5EP2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158763-B2 Lipophilic protected, asparagine-linked oligosaccharide derivative containing a fucose in N-acetylglucosamine on nonreducing terminal side Kajihara, Yasuhiro (JP) 2012-04-17 — — US disclosed
US-8063202-B2 Process for preparing glycopeptides having asparagine-linked oligosaccharides, and the glycopeptides OTSUKA CHEMICAL CO., LTD. (JP) 2011-11-22 — — US disclosed
US-7943763-B2 Process for preparing glycopeptides having asparagine-linked oligosaccharides, and the glycopeptides OTSUKA CHEMICAL HOLDINGS CO., LTD. (JP) 2011-05-17 — — US disclosed
US-20090234095-A1 Process for preparing glycopeptides having asparagine-linked oligosaccharides, and the glycopeptides GLYTECH, INC. (JP) 2009-09-17 — — US disclosed
US-7304148-B2 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain, and processes for producing these OTSUKA CHEMICAL CO., LTD. (JP) 2007-12-04 — — 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-20090234095-A1 Process for preparing glycopeptides having asparagine-linked oligosaccharides, and the glycopeptides ASNS, ANPEP, B3GNT2 P2RY6 4445/4885P2RY14 4059/4885LMNA 1552/4885

“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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