SCHEMBL6875274

SCHEMBL6875274

CCOc1cc(OC2CCN(CC(=O)O)CC2)c(F)c(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.84
F7 P08709 19/20 0.61
F3 P13726 12/20 0.61
PRSS1 P07477 12/20 0.61
PRSS2 P07478 12/20 0.61
PRSS3 P35030 12/20 0.61
F2 P00734 10/20 0.61

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
SCHEMBL6876116 0.92 F10 (0.85) F10F7F3PRSS1PRSS2
SCHEMBL6875577 0.91 F10 (1.00) F10F7F3PRSS1PRSS2
SCHEMBL6874157 0.91 F10 (1.00) F10F7F3PRSS1PRSS2
SCHEMBL6872494 0.91 F10 (1.00) F10F7F3PRSS1PRSS2
SCHEMBL7152343 0.91 F10 (0.77) F10F7F3PRSS1PRSS2
SCHEMBL6879005 0.91 F10 (0.77) F10F7F3PRSS1PRSS2
SCHEMBL6873575 0.88 F10 (0.72) F10F7F3PRSS1PRSS2
SCHEMBL6866593 0.87 F10 (0.81) F10F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL6873566 0.87 F10 (0.71) F10F7F3PRSS1PRSS2
SCHEMBL6873007 0.85 F10 (0.85) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642386-B2 Having alkoxy, halo and piperidin-4-yl substituents; water soluble; coagulation factors Xa and IXa, thrombin induced factor VIIa and tissue factor inhibitors HOFFMANN-LA ROCHE INC. 2003-11-04 US claimed
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-04 US claimed
EP-1474391-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6642386-B2 Having alkoxy, halo and piperidin-4-yl substituents; water soluble; coagulation factors Xa and IXa, thrombin induced factor VIIa and tissue factor inhibitors HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066588-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F2, F12, F5 F10 7/4885F7 5/4885F3 8/4885

“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.