SCHEMBL4288614

SCHEMBL4288614

CCCCCCCCCCc1ccc(CCCOC(=O)NC2CCC(C(=O)O)(C(=O)O)C2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 9/20 0.40
CNR1 P21554 5/20 0.40
NAAA Q02083 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL4298426 0.96 CNR2 (0.40) SMN1; SMN2GAAMAPK1HTTCNR2
SCHEMBL5794141 0.95 CNR2 (0.37) SMN1; SMN2GAAMAPK1HTTCNR2
SCHEMBL4300070 0.94 CNR2 (0.37) SMN1; SMN2GAAMAPK1HTTCNR2
SCHEMBL4291147 0.90 GAA (0.39) SMN1; SMN2GAAMAPK1HTTCNR2
SCHEMBL4286902 0.90 CNR2 (0.37) SMN1; SMN2GAAMAPK1HTTCNR2
SCHEMBL4288619 0.86 CNR2 (0.36) CNR2CNR1NAAAEPHX1
SCHEMBL5793818 0.83 EPHX1 (0.48) SMN1; SMN2GAAMAPK1HTTCNR2
SCHEMBL4300197 0.83 CNR2 (0.37) HTTCNR2CNR1EPHX1
SCHEMBL4300331 0.83 CNR2 (0.37) HTTCNR2CNR1EPHX1
SCHEMBL4291227 0.83 CNR2 (0.37) HTTCNR2CNR1EPHX1

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 4 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-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 SMN1; SMN2 3876/4885GAA 3986/4885MAPK1 1993/4885

“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.