SCHEMBL5882882

SCHEMBL5882882

CCOC(=O)c1cc(CO)cc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
PRKCA P17252 3/20 0.40
PRKCD Q05655 3/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL5882887 0.84 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL23090473 0.80 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL502282 0.80 USP14 (0.33)
SCHEMBL23090479 0.79 SLC7A5 (0.40) CA12CA1CA2CA7CA9
SCHEMBL341606 0.78 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL31245947 0.77 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL18407655 0.76 ACHE (0.31)
SCHEMBL1764910 0.76 TOP2A (0.34)
SCHEMBL3640105 0.76 IDO1 (0.39)
SCHEMBL4694107 0.76 IDO1 (0.38) MAPTHPGD

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 CA12 1856/4885CA1 311/4885CA2 115/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CA12 1856/4885CA1 311/4885CA2 115/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CA12 1856/4885CA1 311/4885CA2 115/4885

“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.