SCHEMBL8510237

SCHEMBL8510237

CCC[C@@](N)(CO)CCc1ccc(OCC(C)CCCC(C)C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.43
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
TNNC1 P63316 5/20 0.39
S1PR3 Q99500 4/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
SGPL1 O95470 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR2 O95136 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
STAT3 P40763 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8510242 1.00 S1PR1 (0.43) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8513772 0.91 S1PR1 (0.39) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8513767 0.91 S1PR1 (0.39) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8512084 0.89 S1PR1 (0.44) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8512090 0.89 S1PR1 (0.44) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8512999 0.88 S1PR1 (0.54) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8512413 0.88 S1PR1 (0.54) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8512421 0.88 S1PR1 (0.54) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8513003 0.88 S1PR1 (0.54) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL8510937 0.87 KCNH2 (0.37) S1PR1S1PR3MRGPRX1KCNH2TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309768-B2 FTY720-derived anticancer agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-13 US disclosed
US-20120136063-A1 FTY720-DERIVED ANTICANCER AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-31 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-20120136063-A1 FTY720-DERIVED ANTICANCER AGENTS SPHK2, S1PR2, S1PR1 S1PR1 3/4885SPHK2 1/4885SPHK1 4/4885

“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.