SCHEMBL5883288

SCHEMBL5883288

N#Cc1ccc(NC(C(=O)O)c2cc(Cl)ccc2OCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NLRP3 Q96P20 1/20 0.40
AKR1B1 P15121 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.39
IDH1 O75874 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
EEF2K O00418 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL5883616 0.88 SGMS2 (0.39) PTGDR2MRGPRX4MAPTMEN1KMT2A
SCHEMBL5882984 0.86 HPGD (0.39) PTGDR2MEN1KMT2AMCL1SGMS2
SCHEMBL5883814 0.85 F10 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5882570 0.85 MEN1 (0.37) PTGDR2MAPTMEN1KMT2AMCL1
SCHEMBL5883198 0.85 F10 (0.36) PTGDR2MEN1KMT2AMCL1SGMS2
SCHEMBL5882353 0.84 RAB9A (0.42) PTGDR2MAPTMEN1KMT2AMCL1
SCHEMBL5883859 0.84 PSMB5 (0.40) PTGDR2MEN1KMT2AMCL1ALDH1A1
SCHEMBL5882292 0.83 MAPT (0.36) PTGDR2MRGPRX4MAPTHTTLMNA
SCHEMBL5882914 0.82 LMNA (0.35) MRGPRX4MAPTHTTLMNATSHR
SCHEMBL5883376 0.82 MAOB (0.47) LMNASGMS2ALDH1A1GAA

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 PTGDR2 1654/4885MRGPRX4 303/4885MAPT 1417/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885MRGPRX4 303/4885MAPT 1417/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885MRGPRX4 303/4885MAPT 1417/4885

“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.