SCHEMBL5044585

SCHEMBL5044585

CCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)NS(=O)(=O)c2ccccc2)ccc1OC(C)C

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.75
F3 P13726 20/20 0.75
F10 P00742 9/20 0.69
F2 P00734 6/20 0.68
PRSS1 P07477 2/20 0.68
PRSS2 P07478 2/20 0.68
PRSS3 P35030 2/20 0.68

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
SCHEMBL5044319 0.88 F7 (0.68) F7F3F10F2PRSS1
SCHEMBL5512942 0.86 F7 (1.00) F7F3F10F2PRSS1
SCHEMBL3856774 0.85 F7 (0.52) F7F3F10F2PRSS1
SCHEMBL5037211 0.84 F7 (0.66) F7F3F10F2PRSS1
Trifluoroacetic Acid SCHEMBL5133568 0.83 F7 (0.72) F7F3F10F2PRSS1
SCHEMBL14584436 0.82 F7 (0.59) F7F3F10F2PRSS1
SCHEMBL4333411 0.82 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL7443963 0.82 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL8300552 0.82 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL5040969 0.82 F7 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594505-A4 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP disclosed
US-7122559-B2 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
EP-1594505-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-16 EP disclosed
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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-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.