SCHEMBL6876129

SCHEMBL6876129

CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
F7 P08709 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
F3 P13726 1/20 0.39
PRSS3 P35030 1/20 0.39
KAT6A Q92794 9/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7149887 0.90 F10 (0.43) F10F7PRSS1PRSS2F3
SCHEMBL7144475 0.82 F10 (0.42) F10F7PRSS1PRSS2F3
SCHEMBL13162156 0.81 CA12 (0.38) F10F7KAT6AGAAMEN1
SCHEMBL7147021 0.81 F10 (0.41) F10F7PRSS1PRSS2F3
SCHEMBL6874415 0.81 F10 (0.52) F10F7PRSS1PRSS2F3
SCHEMBL5882284 0.80 F10 (0.52) F10F7PRSS1PRSS2F3
SCHEMBL6872185 0.80 F10 (0.42) F10F7PRSS1PRSS2PRSS3
SCHEMBL7147090 0.80 F10 (0.53) F10F7PRSS1PRSS2F3
SCHEMBL6866547 0.80 F10 (0.65) F10F7PRSS1PRSS2F3
SCHEMBL7141509 0.79 F10 (0.48) F10F7PRSS1PRSS2F3

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
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
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 (2 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 422/4885PRSS1 506/4885
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F2, F12, F5 F10 7/4885F7 5/4885PRSS1 62/4885

“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.