SCHEMBL6094675

SCHEMBL6094675

Nc1ncnc2ccc(NC(=O)C[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 11/20 0.46
F2 P00734 2/20 0.39
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL6093307 0.90 ST14 (0.39) F2ST14
SCHEMBL6964921 0.81 F2 (0.41) MAP4K4F2
SCHEMBL6093293 0.72 F2 (0.46) F2
SCHEMBL6971958 0.71 F2 (0.42) F2
SCHEMBL6092021 0.69 TSHR (0.62)
SCHEMBL4971281 0.68 MAP4K4 (0.51) MAP4K4
SCHEMBL6093993 0.67 MAP4K4 (0.53) MAP4K4
SCHEMBL10059228 0.65 LTA4H (0.48) F2
Hydrochloric Acid SCHEMBL6092077 0.65 MAP4K4 (0.58) MAP4K4
SCHEMBL7586431 0.64 F2 (0.69) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 MAP4K4 2312/4885F2 2/4885ST14 1087/4885

“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.