SCHEMBL6926324

SCHEMBL6926324

NC(=O)[C@@H]1CCC[N+]1(Cc1cc(Cl)ccc1C(N)C(F)(F)F)C(=O)[C@H](O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
METAP2 P50579 5/20 0.35
EPHX1 P07099 5/20 0.33
METAP1 P53582 2/20 0.30
F10 P00742 1/20 0.30
F12 P00748 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
F7 P08709 1/20 0.30
PRSS3 P35030 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
SCHEMBL6927275 0.90 METAP2 (0.36) F2METAP2EPHX1METAP1
SCHEMBL6926519 0.89 METAP2 (0.35) F2METAP2EPHX1METAP1
SCHEMBL6926522 0.84 F2 (0.47) F2METAP2EPHX1METAP1F10
SCHEMBL6924571 0.81 TP53 (0.34) F2METAP2
SCHEMBL6921549 0.80 METAP2 (0.34) F2METAP2EPHX1METAP1
SCHEMBL6925791 0.79 F2 (0.40) F2METAP2METAP1F10F12
SCHEMBL6927350 0.77 F2 (0.41) F2METAP2EPHX1METAP1F10
SCHEMBL7594538 0.75 METAP2 (0.35) F2METAP2EPHX1METAP1
SCHEMBL6924396 0.73 CXCR3 (0.36) F2METAP2EPHX1METAP1
SCHEMBL6077123 0.71 EPHX1 (0.35) METAP2EPHX1

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 1075/4885EPHX1 943/4885

“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.