SCHEMBL5882926

SCHEMBL5882926

N=C(NO)c1ccc(NC(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.44
F10 P00742 5/20 0.44
F7 P08709 5/20 0.44
F3 P13726 4/20 0.44
PRSS1 P07477 4/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
F2 P00734 4/20 0.44
S1PR3 Q99500 4/20 0.42
S1PR4 O95977 2/20 0.42
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 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
SCHEMBL5883013 0.85 F7 (0.44) F10F7F3PRSS1PRSS2
SCHEMBL5882309 0.84 F7 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL5882039 0.83 F7 (0.61) F10F7F3PRSS1PRSS2
SCHEMBL5883990 0.82 ALDH1A1 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL5881894 0.82 HDAC6 (0.42) F10F7F3PRSS1PRSS2
SCHEMBL5883212 0.81 F7 (0.47) F10F7F3PRSS1PRSS2
SCHEMBL2483521 0.80 FPR2 (0.49) FPR2CA1CA2TDP1
SCHEMBL146704 0.80 FPR2 (0.49) FPR2CA1CA2TDP1
SCHEMBL2483519 0.80 FPR2 (0.49) FPR2CA1CA2TDP1
SCHEMBL5883240 0.80 F7 (0.58) F10F7F3PRSS1PRSS2

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 FPR2 1307/4885F10 520/4885F7 1019/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS FPR2 1307/4885F10 520/4885F7 1019/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS FPR2 1307/4885F10 520/4885F7 1019/4885

“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.