SCHEMBL5883271

SCHEMBL5883271

CC(C)(C)OC(=O)NN=Cc1ccc(NC(C(=O)O)c2cc(OCc3ccccc3)ccc2OCC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 7/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 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
SCHEMBL5883297 0.93 KMT2A (0.46) CYP1A2CYP2C19KMT2AALDH1A1MAPT
SCHEMBL5882802 0.90 KDM4E (0.50) CYP1A2KMT2AALDH1A1MAPTRAB9A
SCHEMBL5882257 0.85 KMT2A (0.44) CYP1A2CYP2C19KMT2AALDH1A1MAPT
SCHEMBL5883266 0.83 F7 (0.47) RAB9ANPC1SMN1; SMN2
SCHEMBL5882685 0.82 KDM4E (0.47) CYP1A2KMT2AALDH1A1MAPTRAB9A
SCHEMBL5883277 0.80 F7 (0.46)
SCHEMBL5882567 0.79 MAPT (0.46) CYP1A2CYP2C19KMT2AALDH1A1MAPT
SCHEMBL5883292 0.77 F10 (0.47) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5883304 0.77 ALDH1A1 (0.43) CYP1A2KMT2AALDH1A1MAPTRAB9A
SCHEMBL5883704 0.76 F7 (0.61)

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 CYP1A2 4088/4885CYP2C19 3378/4885KMT2A 3023/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CYP1A2 4088/4885CYP2C19 3378/4885KMT2A 3023/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CYP1A2 4088/4885CYP2C19 3378/4885KMT2A 3023/4885

“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.