SCHEMBL6926522

SCHEMBL6926522

NCc1ccc(Cl)cc1C[N+]1(C(=O)[C@H](O)C2CCCCC2)CCC[C@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.47
METAP2 P50579 3/20 0.37
F10 P00742 4/20 0.36
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 0.36
F12 P00748 2/20 0.36
F7 P08709 2/20 0.36
EPHX1 P07099 1/20 0.33
METAP1 P53582 1/20 0.32

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
SCHEMBL6927350 0.90 F2 (0.41) F2METAP2F10PRSS1PRSS2
SCHEMBL6927275 0.87 METAP2 (0.36) F2METAP2EPHX1METAP1
SCHEMBL6923244 0.85 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL6925360 0.85 F2 (0.39) F2METAP2F10PRSS1PRSS2
SCHEMBL6921526 0.84 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6926324 0.84 F2 (0.36) F2METAP2F10PRSS1PRSS2
SCHEMBL6926519 0.84 METAP2 (0.35) F2METAP2EPHX1METAP1
SCHEMBL7067806 0.83 F2 (0.39) F2F10PRSS1PRSS2PRSS3
SCHEMBL6925791 0.83 F2 (0.40) F2METAP2F10PRSS1PRSS2
SCHEMBL7067650 0.83 F2 (0.41) F2F10PRSS1PRSS2PRSS3

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 2/4885METAP2 1075/4885F10 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.