Sugi Predict

Sugi Predict / Compounds / SCHEMBL5125519

SCHEMBL5125519

SCHEMBL5125519

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOC3CCCCC3)cc2)c(CC(=O)N[C@H]2CC[C@@H](C(=O)OC)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.54
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ FKBP1A P62942 1/20 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
▸ ABL1 P00519 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL5119101 0.96 CYSLTR2 (0.58) CYSLTR2MEN1KMT2AFKBP1ACYP1A2
SCHEMBL5125689 0.91 CYSLTR2 (0.42) CYSLTR2MEN1KMT2AFKBP1ACYP1A2
SCHEMBL5124933 0.87 CYSLTR2 (0.47) CYSLTR2MEN1KMT2AFKBP1ACYP1A2
SCHEMBL5118730 0.87 CYSLTR2 (0.48) CYSLTR2MEN1KMT2AFKBP1AHPGD
SCHEMBL5111128 0.86 CYSLTR2 (0.47) CYSLTR2MEN1KMT2APOLBTDP1
SCHEMBL5126529 0.85 CYSLTR2 (0.47) CYSLTR2MEN1KMT2AABL1POLB
SCHEMBL5111775 0.85 CYSLTR2 (0.72) CYSLTR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5125642 0.85 CYSLTR2 (0.52) CYSLTR2
SCHEMBL5111825 0.85 CYSLTR2 (0.48) CYSLTR2MEN1KMT2AABL1POLB
SCHEMBL5125966 0.84 CYSLTR2 (0.38) CYSLTR2MEN1KMT2AFKBP1APOLB

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.