SCHEMBL4286843

SCHEMBL4286843

O=C(O)C1(C(=O)O)CC(NCc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.61
S1PR5 Q9H228 14/20 0.61
S1PR4 O95977 13/20 0.61
S1PR3 Q99500 10/20 0.61
PTGER4 P35408 1/20 0.42
PLK1 P53350 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
ADAMTS5 Q9UNA0 1/20 0.36
APOB P04114 1/20 0.36
MTTP P55157 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
SCHEMBL4300201 0.93 S1PR1 (0.57) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL14089810 0.87 S1PR5 (0.70) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL14089813 0.85 S1PR1 (0.68) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL14089817 0.85 S1PR1 (0.68) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL5794959 0.85 S1PR1 (0.59) S1PR1S1PR5S1PR4S1PR3
SCHEMBL14114786 0.85 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL14089831 0.85 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL14089824 0.85 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL14089809 0.85 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3PTGER4
SCHEMBL14089710 0.84 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3PTGER4

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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 S1PR1 2/4885S1PR5 3/4885S1PR4 5/4885

“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.