SCHEMBL4165972

SCHEMBL4165972

CC(=O)CCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](N2C(=O)c3ccccc3C2=O)C(O)O[C@@H]1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.41
▸ TNF P01375 1/20 0.40
▸ TACR2 P21452 3/20 0.38
▸ BCHE P06276 1/20 0.38
▸ PTPN1 P18031 8/20 0.37
▸ CDC25B P30305 8/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ PTPN2 P17706 5/20 0.36
▸ PTPN6 P29350 5/20 0.36
▸ PTPN11 Q06124 5/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SSTR4 P31391 1/20 0.35
▸ CDC25A P30304 1/20 0.35

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
SCHEMBL26101393 0.90 NT5E (0.44) NT5ETNFTACR2BCHEPTPN1
SCHEMBL4165970 0.89 NT5E (0.41) NT5ETNFTACR2BCHEPTPN1
SCHEMBL4185421 0.85 FGF2 (0.43) NT5ETNFBCHEPTPN1CDC25B
SCHEMBL4171741 0.85 NT5E (0.41) NT5ETNFTACR2BCHEPTPN1
SCHEMBL6809783 0.82 HTR1A (0.41) NT5ETACR2BCHEPTPN1CDC25B
SCHEMBL6809785 0.82 HTR1A (0.41) NT5ETACR2BCHEPTPN1CDC25B
SCHEMBL6553250 0.81 TNF (0.42) NT5ETNFTACR2BCHEPTPN1
SCHEMBL6553247 0.81 TNF (0.42) NT5ETNFTACR2BCHEPTPN1
SCHEMBL17456128 0.81 NT5E (0.48) NT5EBCHEPTPN1CDC25BPTPN2
SCHEMBL17456127 0.81 NT5E (0.48) NT5EBCHEPTPN1CDC25BPTPN2

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-20090176970-A1 Preparation of Thiosugars and Their Use GLYCOFORM LIMITED (GB) 2009-07-09 — — 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-20090176970-A1 Preparation of Thiosugars and Their Use TST, TREH, FUT6 NT5E 2113/4885TNF 616/4885TACR2 3242/4885

“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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