Sugi Predict

Sugi Predict / Compounds / SCHEMBL5111705

SCHEMBL5111705

SCHEMBL5111705

CCOC(=O)c1ccc(OCCCc2ccc(OCc3ccc(OC(C)C)cc3)cc2)c(CC(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.43
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ FKBP1A P62942 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL5125966 0.96 CYSLTR2 (0.38) CYSLTR2MEN1KMT2AMAPTPOLB
SCHEMBL5124933 0.86 CYSLTR2 (0.47) CYSLTR2MEN1KMT2AFKBP1AHPGD
SCHEMBL5146168 0.86 CYSLTR2 (0.60) CYSLTR2MEN1KMT2AKDM4ECNR1
SCHEMBL5119101 0.85 CYSLTR2 (0.58) CYSLTR2MEN1KMT2AMAPTPOLB
SCHEMBL5119065 0.84 ALDH1A1 (0.43) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4526968 0.83 CYSLTR2 (0.59) CYSLTR2MEN1KMT2AMAPTPOLB
SCHEMBL5125689 0.82 CYSLTR2 (0.42) CYSLTR2MEN1KMT2AFKBP1AHPGD
SCHEMBL5125519 0.82 CYSLTR2 (0.54) CYSLTR2MEN1KMT2APOLBTDP1
SCHEMBL5126747 0.82 MAPT (0.39) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL5118320 0.81 LMNA (0.43) MAPTKDM4ERAB9ANPC1ALDH1A1

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.