SCHEMBL5124904

SCHEMBL5124904

O=C(O)CCNC(=O)Cc1cc(C(=O)O)ccc1OCCCc1ccc(OCCCCOC2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.59
TERT O14746 1/20 0.43
S1PR1 P21453 6/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
FFAR1 O14842 2/20 0.39
PKM P14618 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
LTB4R Q15722 1/20 0.37

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
SCHEMBL5119501 0.97 CYSLTR2 (0.58) CYSLTR2TERTS1PR1S1PR3S1PR5
SCHEMBL5118877 0.92 CYSLTR2 (0.58) CYSLTR2TERTMEN1KMT2APKM
SCHEMBL5114501 0.90 CYSLTR2 (0.48) CYSLTR2S1PR1S1PR3S1PR5FFAR1
SCHEMBL14145205 0.89 CYSLTR2 (0.61) CYSLTR2MEN1KMT2AFFAR1ITGB3
SCHEMBL5125507 0.87 CYSLTR2 (0.46) CYSLTR2S1PR1S1PR3MEN1KMT2A
SCHEMBL5119629 0.86 S1PR1 (0.54) CYSLTR2S1PR1S1PR3S1PR5MEN1
SCHEMBL5119581 0.85 CYSLTR2 (0.49) CYSLTR2MEN1KMT2A
SCHEMBL5111775 0.84 CYSLTR2 (0.72) CYSLTR2MEN1KMT2A
SCHEMBL5111825 0.84 CYSLTR2 (0.48) CYSLTR2MEN1KMT2A
SCHEMBL5114957 0.84 CYSLTR2 (0.79) CYSLTR2MEN1KMT2APKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 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-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate LTC4S, LTB4R2, LTB4R CYSLTR2 4/4885TERT 4516/4885S1PR1 308/4885

“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.