SCHEMBL7141509

SCHEMBL7141509

CCOC(=O)[C@@H](Nc1ccc(C#N)cc1)c1cc(OCC)cc(O[C@H]2CCOC2)c1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.48
PRSS1 P07477 7/20 0.48
PRSS2 P07478 7/20 0.48
F7 P08709 7/20 0.48
F3 P13726 7/20 0.48
PRSS3 P35030 7/20 0.48
F2 P00734 6/20 0.48
FASN P49327 3/20 0.37
ACACB O00763 2/20 0.37
PDE4D Q08499 3/20 0.36
GRM5 P41594 2/20 0.35
EGFR P00533 2/20 0.35

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
SCHEMBL7143897 1.00 F10 (0.48) F10PRSS1PRSS2F7F3
SCHEMBL7141514 1.00 F10 (0.48) F10PRSS1PRSS2F7F3
SCHEMBL7141517 1.00 F10 (0.48) F10PRSS1PRSS2F7F3
SCHEMBL6874415 0.88 F10 (0.52) F10PRSS1PRSS2F7F3
SCHEMBL7147069 0.86 F7 (0.66) F10PRSS1PRSS2F7F3
SCHEMBL7146788 0.86 F7 (0.66) F10PRSS1PRSS2F7F3
SCHEMBL6866547 0.86 F10 (0.65) F10PRSS1PRSS2F7F3
SCHEMBL7143839 0.86 F10 (0.54) F10PRSS1PRSS2F7F3
Hydrochloric Acid SCHEMBL7147060 0.86 F7 (0.65) F10PRSS1PRSS2F7F3
SCHEMBL7143310 0.86 F10 (0.54) F10PRSS1PRSS2F7F3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 546/4885PRSS1 506/4885PRSS2 853/4885

“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.