SCHEMBL4459041

SCHEMBL4459041

CC(C)c1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(C)O[C]=O)c(NC(=N)N)c2)C(=O)O)c(C(C)C)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.36
ITGA2B P08514 3/20 0.36
F10 P00742 5/20 0.35
PLG P00747 9/20 0.35
PLAU P00749 9/20 0.35
ITGAV P06756 3/20 0.34
HTT P42858 1/20 0.33
F2 P00734 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33

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
SCHEMBL4462974 0.86 ITGB3 (0.38) ITGB3ITGA2BITGAVHTT
SCHEMBL4464577 0.81 ALDH1A1 (0.38) ITGB3ITGA2BITGAVHTT
SCHEMBL4452679 0.81 CTSB (0.32) ITGB3ITGA2BITGAV
SCHEMBL3747259 0.78 F10 (0.58) F10PLGPLAUF2ST14
SCHEMBL4450993 0.70 ADAMTS4 (0.44) HTT
SCHEMBL4556596 0.70 PLAU (0.41) ITGB3ITGA2BF10PLGPLAU
SCHEMBL4557815 0.66 ITGB3 (0.42) ITGB3ITGA2BF10PLGPLAU
SCHEMBL6551536 0.63 THRA (0.31)
SCHEMBL4457655 0.62 KEAP1 (0.32)
SCHEMBL7521219 0.61 F10 (0.50) ITGB3ITGA2BF10PLGPLAU

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-7538216-B2 Guanidino phenylalanin compounds used as urokinase inhibitors WILEX AG (DE) 2009-05-26 US disclosed
US-20050267127-A1 Guanidino phenylalanin compounds used as urokinase inhibitors WILEX AG (DE) 2005-12-01 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-20050267127-A1 Guanidino phenylalanin compounds used as urokinase inhibitors PLAU, PLAUR, ENPEP ITGB3 2345/4885ITGA2B 4012/4885F10 2049/4885

“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.