Sugi Predict

Sugi Predict / Compounds / SCHEMBL7045980

SCHEMBL7045980

SCHEMBL7045980

CC(=O)N(C)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ EPHX2 P34913 1/20 0.49
▸ ALOX5 P09917 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ BRD4 O60885 2/20 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
SCHEMBL10627501 0.86 ALDH1A1 (0.52) ALDH1A1EPHX2ALOX5PTGS1PTGS2
SCHEMBL27726414 0.83 ALDH1A1 (0.48) ALDH1A1EPHX2ALOX5MAPTHPGD
SCHEMBL19057315 0.81 ALDH1A1 (0.47) ALDH1A1EPHX2ALOX5MAPTHPGD
SCHEMBL8923844 0.81 ALDH1A1 (0.56) ALDH1A1EPHX2MAPTHPGDHCAR2
SCHEMBL13479728 0.81 KMT2A (0.51) ALDH1A1EPHX2MAPTHPGDMAOB
SCHEMBL27293207 0.81 ALDH1A1 (0.47) ALDH1A1EPHX2ALOX5MAPTHPGD
SCHEMBL27576689 0.81 ALDH1A1 (0.55) ALDH1A1ALOX5PTGS1PTGS2MAPT
SCHEMBL3969308 0.80 EPHX2 (0.49) ALDH1A1EPHX2ALOX5MAPTHPGD
SCHEMBL7275154 0.80 AOC3 (0.48) ALDH1A1EPHX2ALOX5MAPTHPGD
SCHEMBL4740517 0.80 EPHX2 (0.46) ALDH1A1EPHX2ALOX5MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299377-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-04-09 — — EP claimed
WO-2002000641-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-01-03 — — WO claimed
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 — — US disclosed
CN-115243729-A Macrocyclic chelates and their use 融合制药公司 2022-10-25 — — CN disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 — — US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 — — US disclosed
US-10273256-B2 Macrocycles LUMIPHORE, INC. (US) 2019-04-30 — — US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 — — US disclosed
CN-102112452-B Compound with agonism on delta subtype peroxidase proliferator activated receptor, preparation method and application thereof ZHEJIANG HISUN PHARMACEUTICAL 2014-05-14 — — CN disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
CN-102112452-A Compound with agonism on delta subtype peroxidase proliferator activated receptor, preparation method and application thereof ZHEJIANG HISUN PHARMACEUTICAL 2011-06-29 — — CN disclosed
EP-1299377-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-04-09 — — EP disclosed
WO-2002000641-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-01-03 — — WO disclosed
US-5395886-A Modified fluorohydrocarbon polymers DOW CORNING CORPORATION (US) 1995-03-07 — — US disclosed
US-5367023-A Modified fluorohydrocarbon polymers DOW CORNING CORPORATION (US) 1994-11-22 — — US disclosed
EP-0507468-A2 Modified fluorohydrocarbon polymers DOW CORNING CORPORATION (US) 1992-10-07 — — EP 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 (5 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-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 ALDH1A1 2862/4885EPHX2 4151/4885ALOX5 4373/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 ALDH1A1 2862/4885EPHX2 4151/4885ALOX5 4373/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 ALDH1A1 2862/4885EPHX2 4151/4885ALOX5 4373/4885
US-10273256-B2 Macrocycles HCCS, ABCB7, AURKAIP1 ALDH1A1 1863/4885EPHX2 2440/4885ALOX5 4571/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 ALDH1A1 2862/4885EPHX2 4151/4885ALOX5 4373/4885

“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.