SCHEMBL8513899

SCHEMBL8513899

CC[C@@](N)(CO)CCc1ccc(OCCCCCCCC(C)C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.53
MRGPRX1 Q96LB2 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PRSS1 P07477 2/20 0.42
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNNC1 P63316 5/20 0.41
S1PR4 O95977 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
SGPL1 O95470 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41

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
SCHEMBL8514244 1.00 S1PR1 (0.53) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8514254 1.00 S1PR1 (0.53) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8513906 1.00 S1PR1 (0.53) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8511446 0.99 S1PR1 (0.51) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8511452 0.99 S1PR1 (0.51) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8513857 0.95 S1PR1 (0.48) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8513854 0.95 S1PR1 (0.48) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8512999 0.93 S1PR1 (0.54) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8512413 0.93 S1PR1 (0.54) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97
SCHEMBL8513003 0.93 S1PR1 (0.54) S1PR1MRGPRX1SIGMAR1KCNH2TMEM97

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 3/4885MRGPRX1 239/4885SIGMAR1 1850/4885

“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.