SCHEMBL5882463

SCHEMBL5882463

COc1cc(-c2noc(C)n2)c(C2OCC(C)(C)CO2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 2/20 0.34
S1PR1 P21453 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 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
SCHEMBL5883357 0.70 HTR2A (0.41) L3MBTL1POLBNPC1RAB9AALDH1A1
SCHEMBL12717346 0.67 MAPT (0.46) MAPTL3MBTL1KDM4EHSD17B10NPSR1
SCHEMBL5882385 0.67 HTR2A (0.39) MAPTKDM4EHSD17B10GAANPC1
SCHEMBL5883322 0.67 KDM4E (0.46) MAPTL3MBTL1KDM4EHSD17B10NPSR1
SCHEMBL29133152 0.64 NPC1 (0.45) MAPTL3MBTL1KDM4EHSD17B10NPSR1
SCHEMBL14363621 0.64 HTT (0.68) MAPTL3MBTL1KDM4EHSD17B10NPSR1
SCHEMBL1250902 0.64 SMN1; SMN2 (0.67) MAPTL3MBTL1KDM4EHSD17B10NPSR1
SCHEMBL10339682 0.63 MAPT (0.43) MAPTL3MBTL1KDM4EHSD17B10NPSR1
SCHEMBL8037443 0.63 MAPT (0.40) MAPTL3MBTL1KDM4EHSD17B10NPSR1
SCHEMBL5881922 0.63 SMN1; SMN2 (0.37) KDM4EHSD17B10NPC1RAB9AALDH1A1

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 8 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
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

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 1417/4885L3MBTL1 986/4885KDM4E 1998/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885L3MBTL1 986/4885KDM4E 1998/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885L3MBTL1 986/4885KDM4E 1998/4885

“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.