SCHEMBL244897

SCHEMBL244897

CC(=O)O[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.42
CDC25B P30305 6/20 0.42
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
TNF P01375 1/20 0.40
PTPN2 P17706 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPN11 Q06124 2/20 0.39
LMNA P02545 2/20 0.38
NT5E P21589 1/20 0.38
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL2910414 0.90 PTPN1 (0.41) PTPN1CDC25BTNFPTPN2PTPN6
SCHEMBL2910417 0.90 PTPN1 (0.41) PTPN1CDC25BTNFPTPN2PTPN6
SCHEMBL18744567 0.85 NT5E (0.51) PTPN1CDC25BTSHRPTPN2PTPN6
SCHEMBL18241576 0.85 NT5E (0.51) PTPN1CDC25BTSHRPTPN2PTPN6
SCHEMBL20295300 0.85 NT5E (0.51) PTPN1CDC25BTSHRPTPN2PTPN6
SCHEMBL8225871 0.85 NT5E (0.51) PTPN1CDC25BTSHRPTPN2PTPN6
SCHEMBL4181388 0.85 NT5E (0.51) PTPN1CDC25BTSHRPTPN2PTPN6
SCHEMBL2482599 0.85 NT5E (0.51) PTPN1CDC25BTSHRPTPN2PTPN6
SCHEMBL19731824 0.85 NT5E (0.51) PTPN1CDC25BTSHRPTPN2PTPN6
SCHEMBL17502058 0.82 TSHR (0.59) PTPN1CYP2D6ALDH1A1MAPK1TSHR

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-20120003260-A1 Solid-Phase and Solution-Phase Synthesis of Glycosylphosphatidylinositol Glycans MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-05 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-20120003260-A1 Solid-Phase and Solution-Phase Synthesis of Glycosylphosphatidylinositol Glycans GPI, ALG1, FUT5 PTPN1 3606/4885CDC25B 534/4885CYP2D6 3272/4885

“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.