SCHEMBL4288725

SCHEMBL4288725

CCCCCCCCCCc1ccc(CCNC2CC(C(=O)OCC)(C(=O)OCC)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 0.46
HAO1 Q9UJM8 1/20 0.42
SPHK2 Q9NRA0 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR2 O95136 2/20 0.41
S1PR4 O95977 1/20 0.41

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
SCHEMBL4286878 0.94 SPHK1 (0.43) SPHK1HAO1SPHK2EPHX1EPHX2
SCHEMBL4291335 0.91 S1PR1 (0.49) SPHK1HAO1SPHK2EPHX1EPHX2
SCHEMBL4296068 0.88 SPHK1 (0.43) SPHK1HAO1SPHK2EPHX1EPHX2
SCHEMBL4297651 0.85 SPHK1 (0.49) SPHK1HAO1EPHX1EPHX2THRA
SCHEMBL4288639 0.82 S1PR1 (0.48) SPHK1SPHK2EPHX1EPHX2S1PR1
SCHEMBL4295767 0.82 S1PR1 (0.48) SPHK1SPHK2EPHX1EPHX2S1PR1
SCHEMBL13659721 0.82 S1PR1 (0.48) SPHK1SPHK2EPHX1EPHX2S1PR1
SCHEMBL5795055 0.80 SPHK1 (0.37) SPHK1HAO1SPHK2EPHX1EPHX2
SCHEMBL4288723 0.80 THRA (0.42) SPHK1SPHK2THRATHRBS1PR1
SCHEMBL4298741 0.79 CNR2 (0.35)

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 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 SPHK1 7/4885HAO1 2409/4885SPHK2 9/4885

“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.