SCHEMBL7141690

SCHEMBL7141690

CCOc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c(F)cc1OCCO

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.58
F10 P00742 18/20 0.58
PRSS1 P07477 17/20 0.58
F3 P13726 13/20 0.58
PRSS2 P07478 11/20 0.58
PRSS3 P35030 11/20 0.58
F2 P00734 15/20 0.56

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
SCHEMBL7139637 1.00 F7 (0.58) F7F10PRSS1F3PRSS2
SCHEMBL7139643 1.00 F7 (0.58) F7F10PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL27573387 0.99 F10 (0.57) F7F10PRSS1F3PRSS2
SCHEMBL7149825 0.92 F7 (0.51) F7F10PRSS1F3PRSS2
SCHEMBL7141500 0.92 F7 (0.51) F7F10PRSS1F3PRSS2
SCHEMBL7141495 0.92 F7 (0.51) F7F10PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL7141830 0.91 F7 (0.50) F7F10PRSS1F3PRSS2
SCHEMBL5883749 0.91 F7 (0.61) F7F10PRSS1F3PRSS2
SCHEMBL7144834 0.89 F10 (0.45) F7F10PRSS1F3PRSS2
SCHEMBL7144841 0.89 F10 (0.45) F7F10PRSS1F3PRSS2

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 F7 422/4885F10 546/4885PRSS1 506/4885

“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.