SCHEMBL3898367

SCHEMBL3898367

O=C(O)CC1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.54
▸ PTPN1 P18031 9/20 0.51
▸ CDC25B P30305 7/20 0.51
▸ PTPN2 P17706 5/20 0.51
▸ PTPN11 Q06124 5/20 0.51
▸ PTPN6 P29350 4/20 0.51
▸ TACR2 P21452 3/20 0.51
▸ HTR1A P08908 1/20 0.49
▸ SSTR1 P30872 1/20 0.47
▸ SSTR2 P30874 1/20 0.47
▸ SSTR4 P31391 1/20 0.47
▸ SSTR3 P32745 1/20 0.47
▸ SSTR5 P35346 1/20 0.47
▸ BCHE P06276 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ MTOR P42345 1/20 0.46

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
SCHEMBL3898371 1.00 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL17766609 1.00 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL15968116 1.00 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL18482843 0.89 NT5E (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20473791 0.89 NT5E (0.52) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6303776 0.87 TACR2 (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL20473776 0.87 PTPN1 (0.50) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL28516241 0.87 PTPN1 (0.50) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL6303407 0.87 TSHR (0.49) NT5EPTPN1CDC25BTACR2
SCHEMBL26899483 0.86 NT5E (0.49) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1520583-B1 NKT cell-activating agents containing alpha-glycosylceramides KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-28 — — EP disclosed
EP-1018548-B1 CELLULAR IMMUNOGENICITY POTENTIATING COMPOSITION CONTAINING ALPHA-GLYCOSYLCERAMIDE KIRIN BREWERY (JP) 2006-01-18 — — EP disclosed
EP-1520583-A2 NKT cell-activating agents containing alpha-glycosylceramides KIRIN BEER KABUSHIKI KAISHA (JP) 2005-04-06 — — EP disclosed
EP-0988860-B1 Use of a-glycosylceramides for the manufacture of a therapeutic agent for autoimmune diseases KIRIN BREWERY (JP) 2005-01-12 — — EP disclosed
US-6747010-B2 THERAPY FOR AUTOIMMUNE DISEASE, ANTIULCER AGENTS, BRAIN DISORDERS, INDUCTION ABORTION; NATURAL KILLER CELLS KIRIN BEER KABUSHIKI KAISHA (JP) 2004-06-08 — — US disclosed
US-20030139351-A1 NKT cell-activating agents containing alpha-glycosylceramides KIRIN BEER KABUSHIKI KAISHA 2003-07-24 — — US disclosed
US-6555372-B1 Viricides and antitumor agents KIRIN BEER KABUSHIKI KAISHA (JP) 2003-04-29 — — US disclosed
US-6531453-B1 Activating human NKT cell by culturing in vitro mononuclear cell fraction comprising human NKT cell in presence of specified compound or salt or solvate thereof KIRIN BEERA KABUSHIKI KAISHA (JP) 2003-03-11 — — US disclosed
EP-1018548-A1 CELLULAR IMMUNOGENICITY POTENTIATING COMPOSITION CONTAINING $g(a)-GLYCOSYLCERAMIDE KIRIN BEER KABUSHIKI KAISHA (JP) 2000-07-12 — — EP disclosed
EP-0988860-A1 NKT CELL ACTIVATORS CONTAINING $g(a)-GLYCOSYLCERAMIDES KIRIN BEER KABUSHIKI KAISHA (JP) 2000-03-29 — — EP 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-20030139351-A1 NKT cell-activating agents containing alpha-glycosylceramides UGCG, NFATC1, GBA1 NT5E 1341/4885PTPN1 3489/4885CDC25B 2794/4885

“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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