SCHEMBL4296546

SCHEMBL4296546

CCCCCCCCCCc1ccc(CN2CCC(C(=O)O)(C(=O)OC(C)C)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.35
S1PR5 Q9H228 4/20 0.33
S1PR1 P21453 4/20 0.33
P4HB P07237 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR4 O95977 2/20 0.33

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
SCHEMBL27712636 0.92 S1PR5 (0.37) S1PR5S1PR1
SCHEMBL4295816 0.89 MEN1 (0.36) S1PR5S1PR1MEN1POLBHTT
SCHEMBL4287216 0.88 S1PR1 (0.38) S1PR5S1PR1MEN1HTTKMT2A
SCHEMBL4290004 0.88 MEN1 (0.41) MEN1POLBHTTKMT2AL3MBTL1
SCHEMBL4295372 0.88 MEN1 (0.41) MEN1POLBHTTKMT2AL3MBTL1
SCHEMBL4287003 0.82 MEN1 (0.43) MEN1POLBHTTKMT2AL3MBTL1
SCHEMBL4296531 0.82 S1PR1 (0.36) S1PR5S1PR1MEN1HTTKMT2A
SCHEMBL27692819 0.81 OPRM1 (0.39) S1PR5S1PR1
SCHEMBL4295325 0.78 CNR2 (0.34) S1PR5S1PR1POLBS1PR3S1PR4
SCHEMBL5796908 0.78 RARB (0.36) P4HBMEN1POLBHTTKMT2A

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
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 MGLL 1846/4885S1PR5 3/4885S1PR1 2/4885

“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.