SCHEMBL5883241

SCHEMBL5883241

CCOC(=O)CCCOc1cc(C=O)cc(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
LTA4H P09960 6/20 0.46
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
PDK2 Q15119 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
FAAH O00519 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
SCHEMBL15399905 0.97 BRD4 (0.50) BRD4LTA4HCYSLTR2CYSLTR1PDK2
SCHEMBL16012490 0.85 DGKA (0.53)
SCHEMBL4253341 0.83 CYSLTR2 (0.60) BRD4LTA4HCYSLTR2CYSLTR1PDK2
SCHEMBL16013237 0.83 DGKA (0.54)
SCHEMBL766897 0.82 MAPT (0.58) BRD4LTA4HCYSLTR2CYSLTR1FAAH
SCHEMBL20475472 0.81 SRC (0.44) BRD4LTA4HCYSLTR2CYSLTR1PDK2
SCHEMBL273282 0.80 ALDH1A1 (0.47) L3MBTL1
SCHEMBL11683535 0.80 ALDH1A1 (0.42) L3MBTL1CYP1A2NR1I2PTGS2
SCHEMBL4389091 0.80 BRD4 (0.53) BRD4LTA4HCYSLTR2CYSLTR1PDK2
SCHEMBL23656268 0.79 DGKA (0.47)

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 BRD4 1387/4885LTA4H 3400/4885CYSLTR2 1199/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS BRD4 1387/4885LTA4H 3400/4885CYSLTR2 1199/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS BRD4 1387/4885LTA4H 3400/4885CYSLTR2 1199/4885

“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.