SCHEMBL6927003

SCHEMBL6927003

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1C[N+]1(C(=O)[C@H](O)[C@H](c2cccc(C(=O)OC(C)(C)C)c2)c2ccccn2)CCC[C@H]1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
MAPK8 P45983 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL6929082 0.82 F2 (0.40) F2MAPK8
SCHEMBL6926882 0.82 F2 (0.38) F2
SCHEMBL6927731 0.79 ALDH1A1 (0.37) F2MAPK8
SCHEMBL6923429 0.78 F2 (0.41) F2
SCHEMBL6927002 0.78 F2 (0.49) F2
SCHEMBL7373701 0.78 F2 (0.40) F2
SCHEMBL6925791 0.77 F2 (0.40) F2MAPK8
SCHEMBL6926182 0.76 TSHR (0.35) F2MAPK8FNTAFNTB
SCHEMBL6924958 0.75 F2 (0.39) F2MAPK8
SCHEMBL6921234 0.74 F2 (0.43) F2MAPK8

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 2/4885MAPK8 1750/4885FNTA 1307/4885

“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.