SCHEMBL4288538

SCHEMBL4288538

CCCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)NC)C2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CNR2 P34972 9/20 0.34
CNR1 P21554 5/20 0.34
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
SPHK1 Q9NYA1 5/20 0.31
PLK1 P53350 1/20 0.31

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
SCHEMBL4296381 1.00 S1PR4 (0.34) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL5796612 0.95 S1PR1 (0.41) S1PR4S1PR1S1PR3S1PR5EPHX1
SCHEMBL4300331 0.93 CNR2 (0.37) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL4291227 0.93 CNR2 (0.37) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL4287287 0.92 SPHK1 (0.35) CNR2CNR1EPHX1EPHX2HAO1
SCHEMBL5796623 0.89 S1PR1 (0.38) S1PR4S1PR1S1PR3S1PR5EPHX1
SCHEMBL4289765 0.89 CNR2 (0.38) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL4292807 0.89 CNR2 (0.38) S1PR4S1PR1S1PR3S1PR5CNR2
SCHEMBL5795112 0.88 S1PR1 (0.36) S1PR4S1PR1S1PR3S1PR5EPHX1
SCHEMBL4294299 0.87 CNR2 (0.35) S1PR4S1PR1S1PR3S1PR5CNR2

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 6 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
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO claimed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO 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 S1PR4 5/4885S1PR1 2/4885S1PR3 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.