Sugi Predict

Sugi Predict / Compounds / SCHEMBL5883018

SCHEMBL5883018

SCHEMBL5883018

CCOc1cc(OCC(=O)O)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.89
▸ F7 P08709 18/20 0.89
▸ PRSS1 P07477 17/20 0.89
▸ F3 P13726 16/20 0.89
▸ PRSS2 P07478 15/20 0.89
▸ PRSS3 P35030 15/20 0.89
▸ F2 P00734 16/20 0.74
▸ PLAU P00749 1/20 0.46
▸ PLAT P00750 1/20 0.46

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
SCHEMBL5882776 0.92 F7 (0.86) F10F7PRSS1F3PRSS2
SCHEMBL5882798 0.92 F7 (0.86) F10F7PRSS1F3PRSS2
SCHEMBL5883154 0.91 F7 (0.84) F10F7PRSS1F3PRSS2
SCHEMBL6741654 0.91 F7 (0.84) F10F7PRSS1F3PRSS2
SCHEMBL5882399 0.90 F7 (0.82) F10F7PRSS1F3PRSS2
SCHEMBL5882610 0.90 F7 (0.82) F10F7PRSS1F3PRSS2
SCHEMBL5882631 0.90 F7 (0.82) F10F7PRSS1F3PRSS2
SCHEMBL5882415 0.90 F7 (0.82) F10F7PRSS1F3PRSS2
SCHEMBL5882294 0.89 F7 (0.81) F10F7PRSS1F3PRSS2
SCHEMBL5882278 0.89 F7 (0.81) F10F7PRSS1F3PRSS2

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 8 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
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

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 F10 520/4885F7 1019/4885PRSS1 534/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885PRSS1 534/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885PRSS1 534/4885

“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.