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Sugi Predict / Compounds / SCHEMBL5118889

SCHEMBL5118889

SCHEMBL5118889

O=C(Cc1cc(C(=O)O)ccc1OCCCc1ccc(OCCCC2CCCCC2)cc1)N[C@H]1CC[C@@H](C(=O)O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.59
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ PPM1D O15297 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NMT2 O60551 3/20 0.37
▸ NMT1 P30419 3/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 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
SCHEMBL5125895 0.96 CYSLTR2 (0.65) CYSLTR2MEN1KMT2AITGB3ITGA2B
SCHEMBL5111775 0.90 CYSLTR2 (0.72) CYSLTR2MEN1KMT2AALDH1A1LMNA
SCHEMBL5114957 0.86 CYSLTR2 (0.79) CYSLTR2MEN1KMT2AALDH1A1LMNA
SCHEMBL5117054 0.85 CYSLTR2 (0.46) CYSLTR2MEN1KMT2AITGB3ITGA2B
SCHEMBL5125507 0.85 CYSLTR2 (0.46) CYSLTR2MEN1KMT2AITGB3ITGA2B
SCHEMBL5114501 0.84 CYSLTR2 (0.48) CYSLTR2ITGB3ITGA2BPPM1D
SCHEMBL5125689 0.84 CYSLTR2 (0.42) CYSLTR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4524197 0.84 CYSLTR2 (0.83) CYSLTR2MEN1KMT2AITGB3ITGA2B
SCHEMBL5124864 0.83 CYSLTR2 (0.48) CYSLTR2MEN1KMT2AITGB3ITGA2B
SCHEMBL5124125 0.83 CYSLTR2 (0.53) CYSLTR2MEN1KMT2ASMN1; SMN2HPGD

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 4/4885MEN1 4745/4885KMT2A 973/4885

“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.