SCHEMBL4298459

SCHEMBL4298459

CCCCCCCCOc1c(Br)cc(CNC2CCC(C(=O)O)(C(=O)O)C2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.52
S1PR1 P21453 9/20 0.52
S1PR3 Q99500 8/20 0.52
LPAR2 Q9HBW0 8/20 0.52
S1PR4 O95977 2/20 0.52
S1PR5 Q9H228 1/20 0.52
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.45
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4291153 0.90 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL4293994 0.89 S1PR2 (0.52) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL4633570 0.88 S1PR2 (0.51) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL4291911 0.84 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL4286993 0.84 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL4294295 0.84 S1PR2 (0.49) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL4291915 0.80 MEN1 (0.50) S1PR2S1PR1S1PR3LPAR2LMNA
SCHEMBL4633285 0.78 S1PR2 (0.50) S1PR2S1PR1S1PR3LPAR2S1PR4
SCHEMBL4297659 0.78 S1PR5 (0.47) S1PR1S1PR3S1PR5TSHR
SCHEMBL4295532 0.78 S1PR5 (0.47) S1PR1S1PR3S1PR5TSHR

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 claimed
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP claimed
EP-1650186-A1 Novel dicarboxylic acid derivatives BIOPROJET (FR) 2006-04-26 EP claimed
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
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 S1PR2 1/4885S1PR1 2/4885S1PR3 4/4885

“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.