SCHEMBL5126642

SCHEMBL5126642

O=C(O)CCCNC(=O)Cc1cc(C(=O)O)ccc1OCCCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.49
S1PR1 P21453 6/20 0.49
S1PR3 Q99500 2/20 0.49
FFAR1 O14842 2/20 0.49
S1PR5 Q9H228 1/20 0.47
MTNR1B P49286 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TERT O14746 1/20 0.46
ATM Q13315 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
PLA2G4B P0C869 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5119629 0.96 S1PR1 (0.54) CYSLTR2S1PR1S1PR3FFAR1S1PR5
SCHEMBL5118927 0.89 ALDH1A1 (0.51) CYSLTR2S1PR1S1PR3FFAR1S1PR5
SCHEMBL5119501 0.87 CYSLTR2 (0.58) CYSLTR2S1PR1S1PR3FFAR1S1PR5
SCHEMBL5125507 0.87 CYSLTR2 (0.46) CYSLTR2S1PR1S1PR3FFAR1MTNR1B
SCHEMBL5118044 0.86 KDM4E (0.44) FFAR1MTNR1BATM
SCHEMBL5118515 0.84 MAPT (0.52) MTNR1BMEN1KMT2A
SCHEMBL5114501 0.83 CYSLTR2 (0.48) CYSLTR2S1PR1S1PR3FFAR1S1PR5
SCHEMBL5124904 0.83 CYSLTR2 (0.59) CYSLTR2S1PR1S1PR3FFAR1S1PR5
SCHEMBL5111176 0.82 KDM4E (0.45) CYSLTR2S1PR1S1PR3FFAR1S1PR5
SCHEMBL5126470 0.81 KMT2A (0.48) CYSLTR2MTNR1BTAAR1MEN1KMT2A

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 4/4885S1PR1 308/4885S1PR3 372/4885

“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.