SCHEMBL4289401

SCHEMBL4289401

CCCCCCCCCc1ccc(CN(C)C2CCC(C(=O)OCC)(C(=O)OCC)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.42
THRA P10827 4/20 0.41
THRB P10828 4/20 0.41
SPHK2 Q9NRA0 2/20 0.40
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL4296065 0.95 SPHK1 (0.40) SPHK1THRATHRBSPHK2S1PR4
SCHEMBL4296545 0.95 SPHK1 (0.40) SPHK1THRATHRBSPHK2S1PR4
SCHEMBL4288723 0.93 THRA (0.42) SPHK1THRATHRBSPHK2S1PR4
SCHEMBL4286874 0.90 S1PR1 (0.41) SPHK1THRATHRBSPHK2S1PR4
SCHEMBL13659715 0.87 SPHK1 (0.44) SPHK1THRATHRBS1PR4S1PR1
SCHEMBL4295476 0.87 SPHK1 (0.44) SPHK1THRATHRBS1PR4S1PR1
Hydrochloric Acid SCHEMBL4290826 0.86 SPHK1 (0.43) SPHK1THRATHRBSPHK2S1PR4
SCHEMBL5795054 0.85 SPHK1 (0.33) SPHK1THRATHRBSPHK2S1PR4
SCHEMBL4297646 0.82 ALDH1A1 (0.47) SPHK1THRATHRBS1PR4S1PR1
Hydrochloric Acid SCHEMBL4632549 0.80 SPHK1 (0.42) SPHK1THRATHRBSPHK2S1PR4

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 disclosed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP 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
EP-1650186-A1 Novel dicarboxylic acid derivatives BIOPROJET (FR) 2006-04-26 EP 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 7/4885THRA 973/4885THRB 965/4885

“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.