SCHEMBL6874667

SCHEMBL6874667

CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(OC(C)C2CCCNC2)c1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
F7 P08709 12/20 0.36
ACACB O00763 1/20 0.35
F2 P00734 8/20 0.35
PRSS1 P07477 8/20 0.35
PRSS2 P07478 8/20 0.35
PRSS3 P35030 8/20 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
SCHEMBL6872185 0.91 F10 (0.42) F10F7ACACBF2PRSS1
SCHEMBL6873215 0.88 F10 (0.54) F10F7F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL6873211 0.87 F10 (0.53) F10F7F2PRSS1PRSS2
SCHEMBL6874216 0.87 F10 (0.48) F10ACACB
SCHEMBL6874220 0.87 F10 (0.48) F10ACACB
SCHEMBL6874415 0.82 F10 (0.52) F10F7ACACBF2PRSS1
SCHEMBL7149887 0.82 F10 (0.43) F10F7PRSS1PRSS2PRSS3
SCHEMBL6866388 0.81 F10 (0.62) F10F7F2PRSS1PRSS2
SCHEMBL6871330 0.81 F10 (0.40) F10F7F2PRSS1PRSS2
SCHEMBL7153757 0.80 L3MBTL1 (0.44) F10F7

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 3 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-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 5/4885ACACB 4150/4885

“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.