SCHEMBL2615736

SCHEMBL2615736

C[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
KLK5 Q9Y337 2/20 0.41
CTSK P43235 5/20 0.40
CTSS P25774 3/20 0.40
PRKCA P17252 1/20 0.40
MAPT P10636 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL14043468 0.84 ATM (0.50) ATMPPARGPPARAPPARDCA1
SCHEMBL15854849 0.81 CTSK (0.46) CTSK
SCHEMBL9544068 0.79 PPARA (0.46) ATMPPARGPPARAPPARDCTSK
SCHEMBL9544071 0.79 PPARA (0.46) ATMPPARGPPARAPPARDCTSK
SCHEMBL17905303 0.79 EPHX2 (0.42) ATMPPARGPPARAPPARDKLK5
SCHEMBL30496988 0.78 ATM (0.48) ATMPPARGPPARAPPARDCTSK
SCHEMBL12806200 0.76 CTSK (0.52) ATMPPARGPPARACA1CA2
SCHEMBL27566993 0.75 SYK (0.48) ATMPPARGPPARAPPARDCTSK
SCHEMBL2350194 0.74 PPARA (0.51) ATMPPARGPPARACA1CA2
SCHEMBL29401143 0.74 PPARA (0.51) ATMPPARGPPARACA1CA2

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
US-20140186378-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NKT CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-03 US disclosed
US-20140186378-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NKT CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-03 US disclosed
US-8163290-B2 Glycolipids and analogues thereof as antigens for NKT cells THE ROCKEFELLER UNIVERSITY (US) 2012-04-24 US disclosed
US-8163290-B2 Glycolipids and analogues thereof as antigens for NKT cells THE ROCKEFELLER UNIVERSITY (US) 2012-04-24 US disclosed
US-20110086053-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2011-04-14 US disclosed
US-20110086053-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2011-04-14 US disclosed
US-7923013-B2 Glycolipids and analogues thereof as antigens for NKT cells THE ROCKEFELLER UNIVERSITY (US) 2011-04-12 US disclosed
US-7923013-B2 Glycolipids and analogues thereof as antigens for NKT cells THE ROCKEFELLER UNIVERSITY (US) 2011-04-12 US disclosed
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2007-10-11 US disclosed
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2007-10-11 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 (3 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-20110086053-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells CD69, KLRK1, PBK ATM 3744/4885PPARG 993/4885PPARA 551/4885
US-20140186378-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NKT CELLS CD69, KLRK1, PBK ATM 3744/4885PPARG 993/4885PPARA 551/4885
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells CD69, KLRK1, PBK ATM 3744/4885PPARG 993/4885PPARA 551/4885

“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.