SCHEMBL5882953

SCHEMBL5882953

CCOc1ccc(OCC(N)=O)c(C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 3/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
ERN1 O75460 2/20 0.44
PARP10 Q53GL7 1/20 0.44
LMNA P02545 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
HIF1A Q16665 1/20 0.41
SNCA P37840 1/20 0.41

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
SCHEMBL5883150 0.87 PTGDR2 (0.62) ALDH1A1KDM4ERAB9AL3MBTL1PTGDR2
SCHEMBL15330191 0.87 KDM4E (0.67) ALDH1A1KDM4ERAB9APTGDR2KMT2A
SCHEMBL271557 0.85 LMNA (0.51) ALDH1A1KDM4ERAB9AMAPTERN1
SCHEMBL2554830 0.82 KDM4E (0.48) ALDH1A1KDM4ERAB9AL3MBTL1PTGDR2
SCHEMBL5883303 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9AL3MBTL1PTGDR2
SCHEMBL5881830 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ERAB9AL3MBTL1PTGDR2
SCHEMBL2558209 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9AL3MBTL1PTGDR2
SCHEMBL7029122 0.79 KDM4E (0.48) ALDH1A1KDM4ERAB9AL3MBTL1KMT2A
SCHEMBL14521043 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9APTGDR2KMT2A
SCHEMBL5883975 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ERAB9AL3MBTL1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KDM4E 1998/4885RAB9A 1477/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KDM4E 1998/4885RAB9A 1477/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KDM4E 1998/4885RAB9A 1477/4885

“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.