SCHEMBL4295699

SCHEMBL4295699

CCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)OCCCC)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 3/20 0.45
S1PR5 Q9H228 1/20 0.45
SPHK1 Q9NYA1 7/20 0.41
S1PR2 O95136 3/20 0.40
SPHK2 Q9NRA0 2/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PLK1 P53350 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 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
SCHEMBL4300355 0.93 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL5794199 0.93 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL4288232 0.93 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5SPHK1
Hydrochloric Acid SCHEMBL4288231 0.92 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL4300316 0.91 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL4290777 0.90 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL4291859 0.90 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL4290752 0.90 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL4296871 0.90 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL4298310 0.89 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5SPHK1

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 S1PR1 2/4885S1PR3 4/4885S1PR4 5/4885

“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.