SCHEMBL4297659

SCHEMBL4297659

CCCCCCCCOc1ccc(CNC2CCC(C(=O)O)(C(=O)O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.47
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 4/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL4295532 1.00 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
Hydrochloric Acid SCHEMBL4293607 0.99 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
Hydrochloric Acid SCHEMBL5796322 0.91 S1PR5 (0.41) S1PR5S1PR1S1PR3
SCHEMBL4296871 0.86 S1PR1 (0.52) S1PR5S1PR1S1PR3
SCHEMBL4290752 0.86 S1PR1 (0.52) S1PR5S1PR1S1PR3
SCHEMBL4294179 0.86 NAAA (0.43) S1PR1S1PR3TSHR
SCHEMBL4633518 0.86 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
SCHEMBL4633616 0.86 S1PR5 (0.47) S1PR5S1PR1S1PR3TP53TSHR
Hydrochloric Acid SCHEMBL5796325 0.86 S1PR1 (0.39) S1PR5S1PR1S1PR3
Hydrochloric Acid SCHEMBL4295936 0.85 S1PR1 (0.51) S1PR5S1PR1S1PR3

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 S1PR5 3/4885S1PR1 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.