SCHEMBL5883975

SCHEMBL5883975

CCCc1ccc(OCC(N)=O)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.46
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
SNCA P37840 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
ACACB O00763 1/20 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
SCHEMBL5883303 0.89 ALDH1A1 (0.55) ALDH1A1PTGDR2KDM4ERAB9ACYP2D6
SCHEMBL5882343 0.81 CDK1 (0.41) ALDH1A1PTGDR2KDM4ERAB9AHTT
SCHEMBL2558209 0.80 ALDH1A1 (0.54) ALDH1A1PTGDR2KDM4ERAB9ACYP2D6
SCHEMBL5882953 0.79 ALDH1A1 (0.60) ALDH1A1PTGDR2KDM4ERAB9AMAPT
SCHEMBL4034250 0.78 TUBB1 (0.39) ALDH1A1PTGDR2KDM4ERAB9AMAPT
SCHEMBL8398420 0.77 TUBB1 (0.49) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL15330191 0.77 KDM4E (0.67) ALDH1A1PTGDR2KDM4ERAB9ACYP2D6
SCHEMBL2562401 0.77 PTGDR2 (0.75) ALDH1A1PTGDR2KDM4ERAB9AMAPT
SCHEMBL2559901 0.77 ALDH1A1 (0.56) ALDH1A1PTGDR2KDM4EMAPTMEN1
SCHEMBL5882444 0.75 PTGDR2 (0.64) ALDH1A1PTGDR2KDM4ERAB9AMAPT

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 ALDH1A1 2850/4885PTGDR2 1654/4885KDM4E 1998/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885PTGDR2 1654/4885KDM4E 1998/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885PTGDR2 1654/4885KDM4E 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.