SCHEMBL4452656

SCHEMBL4452656

CC(C)c1ccc(S(=O)(=O)N(c2ccc(C(C)O[C]=O)c([N+](=O)[O-])c2)[C@@H](C)C(=O)O)c(C(C)C)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
PDK1 Q15118 1/20 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
SCHEMBL4457655 0.85 KEAP1 (0.32)
SCHEMBL4450975 0.79 MAPK1 (0.38) PKM
SCHEMBL702623 0.64 TDP1 (0.46) PDK1
SCHEMBL4462974 0.61 ITGB3 (0.38)
SCHEMBL12919846 0.60 MAPT (0.57) PDK1
SCHEMBL3325090 0.60 ALDH1A1 (0.51)
SCHEMBL9004770 0.59 PDK1 (0.45) PDK1
SCHEMBL8141534 0.58 CA9 (0.56) PKM
SCHEMBL2623664 0.58 TXNRD1 (0.40)
SCHEMBL6129356 0.58 TDP1 (0.46)

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 PKM 495/4885PDK1 1853/4885

“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.