SCHEMBL3033506

SCHEMBL3033506

CN(C(=O)c1ccc(Cl)s1)C1(C(=O)O)CC2OC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.37
MAPK1 P28482 2/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TSHR P16473 1/20 0.35
GSK3B P49841 1/20 0.35
F10 P00742 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL2570050 0.71 HPGD (0.43) DAOALDH1A1GAAKDM4EF2
SCHEMBL11201725 0.69 ALDH1A1 (0.59) DAOALDH1A1GAAKDM4EF2
SCHEMBL2570052 0.66 DAO (0.40) DAOALDH1A1GAAKDM4EF2
SCHEMBL3033503 0.66 KMT2A (0.40) DAOALDH1A1GAAKDM4EF2
SCHEMBL29273236 0.64 POLB (0.54) DAOALDH1A1GAAKDM4EF2
SCHEMBL2566849 0.64 SMN1; SMN2 (0.41) ALDH1A1GAAKDM4EMAPK1KMT2A
SCHEMBL5556615 0.64 DAO (0.47) DAOALDH1A1GAAKDM4EF2
SCHEMBL6169358 0.64 ALDH1A1 (0.50) DAOALDH1A1GAAKDM4EF2
SCHEMBL5556880 0.61 DAO (0.44) DAOALDH1A1GAAKDM4EF2
SCHEMBL15525171 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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 (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-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT DAO 118/4885ALDH1A1 1039/4885GAA 246/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 DAO 126/4885ALDH1A1 871/4885GAA 230/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 DAO 126/4885ALDH1A1 871/4885GAA 230/4885

“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.