Sugi Predict

Sugi Predict / Compounds / SCHEMBL73817

SCHEMBL73817

SCHEMBL73817

CCCCc1c(CCCO)n(C)c(=O)n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12220887 0.86 LMNA (0.31) ALDH1A1KDM4ECYP1A2MAPTLMNA
SCHEMBL17070902 0.76 KDM4E (0.51) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL10838932 0.73 CYP1A2 (0.43) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL2199971 0.71 KDM4E (0.54) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL3521446 0.68 GAA (0.41) ALDH1A1CYP1A2CYP2C19MAPTCYP2C9
SCHEMBL9414265 0.68 PLA2G2A (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10020194 0.68 AOC3 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL23635682 0.60 CYP2C9 (0.39) ALDH1A1KDM4ECYP2C19CYP2C9LMNA
SCHEMBL3411557 0.58 TYMP (0.45) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL13539590 0.58 KDM4E (0.43) ALDH1A1KDM4ELMNAHSD17B10SMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 — — US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 — — US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 — — US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 — — US disclosed
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 — — US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 — — US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 — — US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 — — US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 — — US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 — — 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 (9 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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 PDE4A 1373/4885PDE4B 1493/4885PDE4C 1758/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PDE4A 1343/4885PDE4B 1479/4885PDE4C 1921/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PDE4A 1343/4885PDE4B 1479/4885PDE4C 1921/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 PDE4A 1343/4885PDE4B 1479/4885PDE4C 1921/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 PDE4A 1373/4885PDE4B 1493/4885PDE4C 1758/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PDE4A 1343/4885PDE4B 1479/4885PDE4C 1921/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 PDE4A 1366/4885PDE4B 1493/4885PDE4C 1749/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR PDE4A 1369/4885PDE4B 1543/4885PDE4C 1981/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PDE4A 1343/4885PDE4B 1479/4885PDE4C 1921/4885

“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.