SCHEMBL6789076

SCHEMBL6789076

CCOc1cc(C(Nc2ccc3c(N)noc3c2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 1.00
F3 P13726 20/20 1.00
F10 P00742 9/20 0.76
F2 P00734 7/20 0.76
PRSS1 P07477 2/20 0.76
PRSS2 P07478 2/20 0.76
PRSS3 P35030 2/20 0.76

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
Trifluoroacetic Acid SCHEMBL6027515 0.96 F7 (0.92) F7F3F10F2PRSS1
SCHEMBL5054219 0.86 F7 (1.00) F7F3F10F2PRSS1
SCHEMBL5054216 0.86 F7 (1.00) F7F3F10F2PRSS1
SCHEMBL6788956 0.86 F7 (1.00) F7F3F10F2PRSS1
SCHEMBL6792234 0.86 F7 (1.00) F7F3F10F2PRSS1
Trifluoroacetic Acid SCHEMBL6027119 0.83 F7 (0.92) F7F3F10F2PRSS1
SCHEMBL6027519 0.82 F7 (0.69) F7F3F10F2PRSS1
Trifluoroacetic Acid SCHEMBL5048828 0.82 F7 (0.92) F7F3F10F2PRSS1
Trifluoroacetic Acid SCHEMBL5146604 0.82 F7 (0.92) F7F3F10F2PRSS1
SCHEMBL6027107 0.81 F7 (1.00) F7F3F10F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed

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-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors F7, SERPINE1, HABP2 F7 1/4885F3 62/4885F10 70/4885

“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.