SCHEMBL5220844

SCHEMBL5220844

CCOc1cc(N)cc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
USP2 O75604 2/20 0.44
KDM4E B2RXH2 3/20 0.44
CREBBP Q92793 2/20 0.44
NPC1 O15118 3/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
MAPT P10636 3/20 0.42
PARP10 Q53GL7 1/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL31388082 1.00 ALDH1A1 (0.45) ALDH1A1USP2KDM4ECREBBPNPC1
SCHEMBL11171580 0.88 KDM4E (0.50) ALDH1A1KDM4ECREBBPNPC1RAB9A
SCHEMBL3176817 0.88 KDM4E (0.54) ALDH1A1USP2KDM4ECREBBPNPC1
SCHEMBL2381523 0.87 NPC1 (0.57) USP2CREBBPNPC1TP53RAB9A
SCHEMBL28995855 0.83 PARP10 (0.54) ALDH1A1USP2KDM4ECREBBPCA12
SCHEMBL9168136 0.83 PLA2G2A (0.57) ALDH1A1NPC1TP53RAB9AMAPT
SCHEMBL28995925 0.83 PLA2G2A (0.51) USP2CREBBPNPC1TP53RAB9A
SCHEMBL414382 0.82 CA1 (0.52) ALDH1A1USP2KDM4ENPC1TP53
SCHEMBL26032282 0.81 MAOA (0.43) ALDH1A1USP2KDM4ECA12CA1
SCHEMBL713400 0.81 CA12 (0.63) ALDH1A1KDM4ECREBBPNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082181-A Method for preparing 3-amino-5-ethoxy-benzoic acid 爱斯特(成都)生物制药股份有限公司 2023-05-09 CN disclosed
US-9522911-B2 Crystalline forms of tricyclic compound acid salt or hydrate thereof, and method for making thereof JEIL PHARMACEUTICAL CO., LTD. (KR) 2016-12-20 US disclosed
US-9522911-B2 Crystalline forms of tricyclic compound acid salt or hydrate thereof, and method for making thereof JEIL PHARMACEUTICAL CO., LTD. (KR) 2016-12-20 US disclosed
US-9522911-B2 Crystalline forms of tricyclic compound acid salt or hydrate thereof, and method for making thereof JEIL PHARMACEUTICAL CO., LTD. (KR) 2016-12-20 US disclosed
US-20140350007-A1 CRYSTALLINE FORMS OF TRICYCLIC COMPOUND ACID SALT OR HYDRATE THEREOF, AND METHOD FOR MAKING THEREOF JEIL PHARMACEUTICAL CO., LTD. (KR) 2014-11-27 US disclosed
US-20140350007-A1 CRYSTALLINE FORMS OF TRICYCLIC COMPOUND ACID SALT OR HYDRATE THEREOF, AND METHOD FOR MAKING THEREOF JEIL PHARMACEUTICAL CO., LTD. (KR) 2014-11-27 US disclosed
US-20140350007-A1 CRYSTALLINE FORMS OF TRICYCLIC COMPOUND ACID SALT OR HYDRATE THEREOF, AND METHOD FOR MAKING THEREOF JEIL PHARMACEUTICAL CO., LTD. (KR) 2014-11-27 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO 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 (3 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ALDH1A1 3102/4885USP2 508/4885KDM4E 1129/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 ALDH1A1 4018/4885USP2 650/4885KDM4E 1890/4885
US-20140350007-A1 CRYSTALLINE FORMS OF TRICYCLIC COMPOUND ACID SALT OR HYDRATE THEREOF, AND METHOD FOR MAKING THEREOF CTSA, HTT, HIF1AN ALDH1A1 1148/4885USP2 3957/4885KDM4E 4329/4885

“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.