SCHEMBL7065309

SCHEMBL7065309

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C(N)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.52
PRSS1 P07477 4/20 0.52
F10 P00742 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
ALDH1A1 P00352 1/20 0.50
ACE P12821 1/20 0.49
F12 P00748 1/20 0.49
F7 P08709 1/20 0.49
CMA1 P23946 8/20 0.48
CTRC Q99895 1/20 0.47

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
SCHEMBL7065318 0.88 F2 (0.57) F2PRSS1F10PRSS2PRSS3
SCHEMBL6923426 0.84 F2 (0.70) F2PRSS1F10PRSS2PRSS3
SCHEMBL6929081 0.83 F2 (0.68) F2PRSS1F10PRSS2PRSS3
SCHEMBL6921233 0.82 F2 (0.70) F2PRSS1F10PRSS2PRSS3
SCHEMBL6927322 0.82 ALDH1A1 (0.53) F2PRSS1F10PRSS2PRSS3
SCHEMBL6927728 0.82 F2 (0.57) F2PRSS1F10PRSS2PRSS3
SCHEMBL6925788 0.82 F2 (0.67) F2PRSS1F10PRSS2PRSS3
SCHEMBL6921479 0.80 ALDH1A1 (0.56) F2PRSS1F10PRSS2PRSS3
SCHEMBL16576478 0.79 F2 (0.65) F2PRSS1ACECMA1CTRC
SCHEMBL6925201 0.78 ALDH1A1 (0.54) F2PRSS1F10PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI F2 2/4885PRSS1 116/4885F10 22/4885

“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.