SCHEMBL4452679

SCHEMBL4452679

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
ITGB3 P05106 8/20 0.31
ITGAV P06756 7/20 0.31
ITGA2B P08514 2/20 0.31
ADAMTS4 O75173 1/20 0.30
ACE P12821 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGB5 P18084 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CTSL P07711 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
SCHEMBL4557910 0.86 PLAU (0.33) ITGB3ITGA2B
SCHEMBL4459041 0.81 ITGB3 (0.36) ITGB3ITGAVITGA2B
SCHEMBL4462974 0.77 ITGB3 (0.38) ITGB3ITGAVITGA2BADAMTS4ALDH1A1
SCHEMBL2243219 0.67 ADAMTS4 (0.37) ITGB3ITGAVITGA2BADAMTS4ITGB1
SCHEMBL3747259 0.65 F10 (0.58)
SCHEMBL4450993 0.65 ADAMTS4 (0.44) ADAMTS4ALDH1A1MAPT
SCHEMBL16143908 0.62
SCHEMBL19639375 0.61 CYP2D6 (0.51) ALDH1A1MAPT
SCHEMBL2241632 0.61 PLG (0.42) CTSSCTSKITGB3ITGAVITGA2B
SCHEMBL13785636 0.60 CYP17A1 (0.47) ALDH1A1

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 CTSB 406/4885CTSS 479/4885CTSK 102/4885

“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.