SCHEMBL5882317

SCHEMBL5882317

CCOc1cc(OCC(=O)O)c(C=O)cc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
GLA P06280 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.52
LMNA P02545 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5883468 0.91 L3MBTL1 (0.56) L3MBTL1GLAPTGDR2LMNAPSEN1
SCHEMBL5882507 0.87 ALDH1A1 (0.58) L3MBTL1GLAPTGDR2LMNAALDH1A1
SCHEMBL5882222 0.80 LMNA (0.45) L3MBTL1PTGDR2LMNAALDH1A1KDM4E
SCHEMBL29954494 0.78 ALDH1A1 (0.60) L3MBTL1GLAPTGDR2LMNAALDH1A1
SCHEMBL29955281 0.78 LMNA (0.77) L3MBTL1GLAPTGDR2LMNAALDH1A1
SCHEMBL5883150 0.78 PTGDR2 (0.62) L3MBTL1GLAPTGDR2ALDH1A1KDM4E
SCHEMBL5882543 0.78 ALDH1A1 (0.50) LMNAALDH1A1KDM4ETSHRMAPT
SCHEMBL5881970 0.78 PTGDR2 (0.58) L3MBTL1GLAPTGDR2PSEN1PSEN2
SCHEMBL5881830 0.77 ALDH1A1 (0.65) L3MBTL1GLAPTGDR2LMNAALDH1A1
SCHEMBL3431542 0.76 LMNA (0.69) L3MBTL1LMNAALDH1A1KDM4ETSHR

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 L3MBTL1 986/4885GLA 401/4885PTGDR2 1654/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS L3MBTL1 986/4885GLA 401/4885PTGDR2 1654/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS L3MBTL1 986/4885GLA 401/4885PTGDR2 1654/4885

“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.