SCHEMBL5882292

SCHEMBL5882292

N#Cc1ccc(NC(C(=O)O)c2cc(Cl)cc(I)c2OCCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
MMP2 P08253 3/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
MCL1 Q07820 1/20 0.33
APP P05067 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
AKR1B1 P15121 1/20 0.32
EEF2K O00418 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL5883205 0.90 MMP2 (0.35) MAPTLMNAMMP2ARMEN1
SCHEMBL5882914 0.89 LMNA (0.35) MAPTLMNATSHRHTTNLRP3
SCHEMBL5882865 0.88 F10 (0.35) MAPTLMNATSHRHTTNLRP3
SCHEMBL5882711 0.87 SGMS2 (0.37) MRGPRX4ARMEN1KMT2AF10
SCHEMBL5882159 0.86 F7 (0.35) MAPTLMNAMMP2ARAPP
SCHEMBL5882140 0.85 MRGPRX4 (0.37) MAPTLMNATSHRHTTNLRP3
SCHEMBL5883288 0.83 PTGDR2 (0.42) MAPTLMNATSHRHTTNLRP3
SCHEMBL5883073 0.83 F10 (0.51) F10PRSS1PRSS2F7F3
Hydrochloric Acid SCHEMBL5882804 0.82 F10 (0.50) F10PRSS1PRSS2F7F3
SCHEMBL5882469 0.81 MEN1 (0.42) MAPTLMNAMMP2MEN1KMT2A

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 MAPT 1417/4885LMNA 2613/4885TSHR 3764/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885LMNA 2613/4885TSHR 3764/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885LMNA 2613/4885TSHR 3764/4885

“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.