SCHEMBL13198524

SCHEMBL13198524

CC(C)(C)OC(=O)N[C@@H](CO)CCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
CTSK P43235 9/20 0.54
CTSS P25774 3/20 0.54
SYK P43405 1/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
MMP1 P03956 2/20 0.47
MMP3 P08254 2/20 0.47
MMP9 P14780 2/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
APP P05067 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ACE P12821 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
SCHEMBL3842588 0.92 CTSK (0.59) ATMCTSKCTSSSYKCTSL
SCHEMBL7696221 0.92 CTSK (0.59) ATMCTSKCTSSSYKCTSL
SCHEMBL14338698 0.92 CTSK (0.59) ATMCTSKCTSSSYKCTSL
SCHEMBL7729227 0.87 CTSK (0.55) ATMCTSKCTSSSYKCTSL
SCHEMBL7375068 0.87 CTSK (0.55) ATMCTSKCTSSSYKCTSL
SCHEMBL21715604 0.86 CTSK (0.56) ATMCTSKCTSSSYKCTSL
SCHEMBL28448310 0.86 ATM (0.64) ATMCTSKCTSSSYKCTSL
SCHEMBL1022839 0.86 CTSS (0.49) ATMCTSKCTSSSYKCTSL
SCHEMBL4895955 0.85 CTSS (0.48) ATMCTSKCTSSSYKCTSL
SCHEMBL27725038 0.84 PPARA (0.56) ATMCTSKCTSSSYKMMP1

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
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 WO disclosed
US-7560477-B2 Compounds active in sphingosine 1-phosphate signaling UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-07-14 US disclosed
US-7560477-B2 Compounds active in sphingosine 1-phosphate signaling UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-07-14 US disclosed
US-20070219163-A1 Compounds Active in Sphingosine 1-Phosphate Signaling UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-09-20 US disclosed
US-20070219163-A1 Compounds Active in Sphingosine 1-Phosphate Signaling UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-09-20 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-20070219163-A1 Compounds Active in Sphingosine 1-Phosphate Signaling S1PR3, S1PR1, S1PR5 ATM 2552/4885CTSK 3556/4885CTSS 2282/4885

“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.