SCHEMBL5657253

SCHEMBL5657253

Cn1c(CCCCc2ccccc2)ccc1CC[C@@](C)(N)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(CCCCc2ccccc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
LMNA P02545 1/20 0.39
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
POLB P06746 1/20 0.36
LTB4R Q15722 2/20 0.36
S1PR4 O95977 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DUT P33316 1/20 0.35
FAAH O00519 3/20 0.35
CES1 P23141 3/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL5658171 0.99 S1PR1 (0.46) S1PR1S1PR3S1PR5LMNAGRM2
SCHEMBL3195967 0.88 S1PR1 (0.42) S1PR1S1PR3S1PR5LMNAFAAH
SCHEMBL386934 0.84 S1PR1 (0.43) S1PR1S1PR3S1PR5LMNAS1PR4
Oxalic Acid SCHEMBL5657249 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR5GRM2GRM3
SCHEMBL385845 0.83 S1PR1 (0.62) S1PR1S1PR3S1PR5S1PR4
Oxalic Acid SCHEMBL5658166 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5GRM2GRM3
SCHEMBL5657392 0.82 S1PR1 (0.40) S1PR1S1PR3S1PR5LMNAS1PR4
SCHEMBL385473 0.81 TNNC1 (0.40) S1PR1S1PR3S1PR5LTB4RS1PR4
SCHEMBL387206 0.81 TNNC1 (0.40) S1PR1S1PR3S1PR5LTB4RS1PR4
SCHEMBL3199034 0.80 S1PR1 (0.41) S1PR1S1PR3S1PR5CES1

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-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT S1PR1 257/4885S1PR3 414/4885S1PR5 503/4885

“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.