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)
Ammonia Solution, Strong SCHEMBL11578768 0.58 FABP3 (0.40) TSHR
Hydrochloric Acid SCHEMBL1005423 0.58 FABP3 (0.40) TSHR

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.