SCHEMBL7146868

SCHEMBL7146868

CCOc1cc(O[C@H]2CCOC2)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.76
F7 P08709 19/20 0.74
F3 P13726 16/20 0.74
PRSS1 P07477 16/20 0.74
PRSS2 P07478 16/20 0.74
PRSS3 P35030 16/20 0.74
F2 P00734 14/20 0.74

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
SCHEMBL7145574 1.00 F10 (0.76) F10F7F3PRSS1PRSS2
SCHEMBL7141758 1.00 F10 (0.76) F10F7F3PRSS1PRSS2
SCHEMBL7141447 1.00 F10 (0.76) F10F7F3PRSS1PRSS2
SCHEMBL7144768 1.00 F10 (0.76) F10F7F3PRSS1PRSS2
SCHEMBL7141754 1.00 F10 (0.76) F10F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL27573354 0.99 F10 (0.75) F10F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL27592015 0.99 F10 (0.75) F10F7F3PRSS1PRSS2
SCHEMBL7147069 0.93 F7 (0.66) F10F7F3PRSS1PRSS2
SCHEMBL7146788 0.93 F7 (0.66) F10F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL7146781 0.92 F7 (0.65) 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
CN-1430599-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2003-07-16 CN claimed
US-6548694-B2 Anticoagulants HOFFMAN-LA ROCHE INC. 2003-04-15 US claimed
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP claimed
US-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-01-10 US claimed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO claimed
CN-1430599-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2003-07-16 CN disclosed
US-6548694-B2 Anticoagulants HOFFMAN-LA ROCHE INC. 2003-04-15 US disclosed
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-01-10 US disclosed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 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 (1 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-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives GLS, SLC6A5, GLRA1 F10 546/4885F7 422/4885F3 1656/4885

“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.