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.

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