SCHEMBL4493376

SCHEMBL4493376

Cc1ccc(CCCC#Cc2ccc(CCC(C)(N)COP(=O)(O)O)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.51
S1PR3 Q99500 17/20 0.51
S1PR5 Q9H228 6/20 0.51
S1PR4 O95977 5/20 0.46
S1PR2 O95136 2/20 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
SCHEMBL385991 0.94 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4
SCHEMBL385789 0.91 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL386291 0.91 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL383769 0.91 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL384340 0.91 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL386827 0.91 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL385453 0.90 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL387152 0.90 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL386424 0.90 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4S1PR2
SCHEMBL386681 0.89 S1PR1 (0.40) S1PR1S1PR3S1PR5S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 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-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 S1PR1 70/4885S1PR3 89/4885S1PR5 163/4885

“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.