SCHEMBL4457655

SCHEMBL4457655

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4452656 0.85 PKM (0.35) —
SCHEMBL4462974 0.73 ITGB3 (0.38) ALDH1A1
SCHEMBL4450975 0.72 MAPK1 (0.38) —
SCHEMBL6551536 0.64 THRA (0.31) —
SCHEMBL719443 0.59 FABP3 (0.41) ALDH1A1TSHR
SCHEMBL3925075 0.59 CA1 (0.39) ALDH1A1
SCHEMBL27693776 0.59 KDM4E (0.36) ALDH1A1
SCHEMBL9425114 0.58 SLC9A1 (0.31) —
Hydrochloric Acid SCHEMBL1005423 0.58 FABP3 (0.40) TSHR
SCHEMBL10435622 0.58 L3MBTL1 (0.31) —

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 KEAP1 1298/4885NFE2L2 3697/4885ALDH1A1 1671/4885

“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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