SCHEMBL5883550

SCHEMBL5883550

CCOC(=O)CC(O)(CC(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.35
CYP1A2 P05177 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
PPID Q08752 1/20 0.32

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
SCHEMBL73474 0.92 ALDH1A1 (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL28784375 0.90 ALDH1A1 (0.46) ALDH1A1GAAMGAMSIMGAM2
Ammonia Solution, Strong SCHEMBL28679472 0.90 ALDH1A1 (0.46) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL2118956 0.90 ALDH1A1 (0.46) ALDH1A1GAAMGAMSIMGAM2
Hydroxyamine SCHEMBL27485358 0.88 ALDH1A1 (0.44) ALDH1A1GAAMGAMSIMGAM2
Citric Acid SCHEMBL4292973 0.86 ALDH1A1 (0.60) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL72953 0.86 ALDH1A1 (0.60) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL30384961 0.86 ALDH1A1 (0.60) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL166758 0.85 ALDH1A1 (0.40) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL433131 0.85 ALDH1A1 (0.58) ALDH1A1GAAMGAMSIMGAM2

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 2850/4885GAA 1949/4885MGAM 1730/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885GAA 1949/4885MGAM 1730/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885GAA 1949/4885MGAM 1730/4885

“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.