SCHEMBL5114501

SCHEMBL5114501

O=C(O)CCNC(=O)Cc1cc(C(=O)O)ccc1OCCCc1ccc(OCCCC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.48
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
S1PR1 P21453 6/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 1/20 0.41
FFAR1 O14842 2/20 0.39
PPM1D O15297 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 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
SCHEMBL5125507 0.97 CYSLTR2 (0.46) CYSLTR2ITGB3ITGA2BS1PR1S1PR3
SCHEMBL5117054 0.92 CYSLTR2 (0.46) CYSLTR2ITGB3ITGA2BPPM1DPTGES
SCHEMBL5124904 0.90 CYSLTR2 (0.59) CYSLTR2ITGB3ITGA2BS1PR1S1PR3
SCHEMBL5119501 0.87 CYSLTR2 (0.58) CYSLTR2ITGB3ITGA2BS1PR1S1PR3
SCHEMBL5119629 0.86 S1PR1 (0.54) CYSLTR2S1PR1S1PR3S1PR5FFAR1
SCHEMBL5118889 0.84 CYSLTR2 (0.59) CYSLTR2ITGB3ITGA2BPPM1D
SCHEMBL5125895 0.84 CYSLTR2 (0.65) CYSLTR2ITGB3ITGA2BPPM1D
SCHEMBL5126556 0.83 KMT2A (0.39) CYSLTR2PTGESALOX5
SCHEMBL5126642 0.83 CYSLTR2 (0.49) CYSLTR2S1PR1S1PR3S1PR5FFAR1
SCHEMBL5118033 0.82 MAPT (0.42) CYSLTR2PTGESALOX5

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 4/4885ITGB3 1597/4885ITGA2B 1735/4885

“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.