SCHEMBL2585062

SCHEMBL2585062

CCOC(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
MAPK1 P28482 2/20 0.68
P4HTM Q9NXG6 9/20 0.59
P4HA1 P13674 1/20 0.59
MIF P14174 1/20 0.59
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50

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
SCHEMBL2963596 0.98 KDM4E (0.66) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL1971939 0.90 MAPK1 (0.61) KDM4EL3MBTL1MAPK1CYP2C9CYP2C19
SCHEMBL29637478 0.90 MAPK1 (0.61) KDM4EL3MBTL1MAPK1CYP2C9CYP2C19
SCHEMBL370722 0.87 P4HTM (0.59) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL7356681 0.85 MAPK1 (0.75) KDM4EL3MBTL1MAPK1CA12CA1
SCHEMBL2963598 0.84 MAPK1 (0.50) KDM4EL3MBTL1MAPK1P4HTMCYP2C9
SCHEMBL2108606 0.84 P4HTM (0.56) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL27429591 0.83 L3MBTL1 (0.59) KDM4EL3MBTL1MAPK1P4HTMP4HA1
SCHEMBL27305364 0.83 MAPK1 (0.49) KDM4EL3MBTL1MAPK1CYP2C9CYP2C19
SCHEMBL23149647 0.81 KDM4E (0.56) KDM4EL3MBTL1MAPK1P4HTMP4HA1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035593-A1 COPOLYMER BLENDS BIOME BIOPLASTICS LIMITED (GB) 2020-02-20 WO disclosed
WO-2016202875-A1 PROCESS FOR THE PREPARATION OF 2,4- OR 2,5-PYRIDINEDICARBOXYLIC ACID AND COPOLYMERS DERIVED THEREFROM BIOME BIOPLASTICS LIMITED (GB) 2016-12-22 WO disclosed
CN-102958922-B 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-09-30 CN disclosed
EP-2566855-B1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-21 EP disclosed
US-8673894-B2 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-02-13 US disclosed
CN-101402562-B Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2013-07-31 CN disclosed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
CN-101054345-B Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2010-06-02 CN disclosed
CN-1602291-B Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-05-12 CN disclosed
CN-101402562-A Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2009-04-08 CN disclosed
CN-101054345-A Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2007-10-17 CN disclosed
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 CN disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed
US-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 WO disclosed
EP-0133612-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1991-02-27 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 (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-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds BACE2, BACE1, PSEN2 KDM4E 1527/4885L3MBTL1 3402/4885MAPK1 2073/4885

“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.