SCHEMBL5882567

SCHEMBL5882567

CCOC(=O)COc1ccccc1C(Nc1ccc(C=NNC(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
KDM4E B2RXH2 3/20 0.46
MIF P14174 2/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.42
CYP1A2 P05177 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL5882257 0.89 KMT2A (0.44) MAPTRAB9ANPC1KDM4EMIF
SCHEMBL5882685 0.88 KDM4E (0.47) MAPTRAB9ANPC1KDM4EMIF
SCHEMBL5883297 0.88 KMT2A (0.46) MAPTRAB9ANPC1KDM4EMIF
SCHEMBL5882563 0.82 F10 (0.40) MAPTRAB9ANPC1CYP1A2NPSR1
SCHEMBL5883271 0.79 CYP1A2 (0.47) MAPTRAB9ANPC1KDM4EMIF
SCHEMBL5882802 0.79 KDM4E (0.50) MAPTRAB9ANPC1KDM4EMIF
SCHEMBL5882644 0.76 L3MBTL1 (0.43) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5883304 0.74 ALDH1A1 (0.43) MAPTRAB9ANPC1KDM4EMIF
SCHEMBL5882847 0.72 F10 (0.44) MAPTKMT2AMEN1
SCHEMBL8379602 0.71 MAPT (0.52) MAPTRAB9ANPC1KDM4EMIF

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 MAPT 1417/4885RAB9A 1477/4885NPC1 510/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885RAB9A 1477/4885NPC1 510/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885RAB9A 1477/4885NPC1 510/4885

“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.