SCHEMBL4526773

SCHEMBL4526773

O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)N2CC(C(=O)O)C2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.64
S1PR1 P21453 11/20 0.48
S1PR3 Q99500 7/20 0.48
PLA2G4B P0C869 1/20 0.45
S1PR5 Q9H228 5/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
FFAR1 O14842 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PKM P14618 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
SCHEMBL13918523 0.91 CYSLTR2 (0.65) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5
SCHEMBL4522253 0.90 CYSLTR2 (0.64) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5
SCHEMBL4532981 0.89 CYSLTR2 (0.55) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5
SCHEMBL13918454 0.89 CYSLTR2 (0.62) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5
SCHEMBL5207067 0.89 CYSLTR2 (0.55) CYSLTR2S1PR1S1PR3PLA2G4BPOLB
SCHEMBL13918475 0.88 CYSLTR2 (0.61) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5
SCHEMBL6199651 0.87 CYSLTR2 (0.59) CYSLTR2PLA2G4BPOLBCASP6NR1H4
SCHEMBL13918337 0.87 CYSLTR2 (0.60) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5
SCHEMBL13918478 0.85 CYSLTR2 (0.57) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5
SCHEMBL13918389 0.83 CYSLTR2 (0.56) CYSLTR2S1PR1S1PR3PLA2G4BS1PR5

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-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A CYSLTR2 1426/4885S1PR1 4458/4885S1PR3 4374/4885

“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.