SCHEMBL4464577

SCHEMBL4464577

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TYMS P04818 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
MMP2 P08253 7/20 0.35
MMP9 P14780 6/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ADAMTS4 O75173 1/20 0.34
HTT P42858 1/20 0.34
ITGAV P06756 1/20 0.33
PKM P14618 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
SCHEMBL4462974 0.85 ITGB3 (0.38) ALDH1A1TYMSMAPTTDP1POLB
SCHEMBL4557815 0.83 ITGB3 (0.42) ALDH1A1ITGB3ITGA2B
SCHEMBL4459041 0.81 ITGB3 (0.36) ITGB3ITGA2BHTTITGAV
SCHEMBL4450993 0.81 ADAMTS4 (0.44) ALDH1A1TYMSMAPTPOLBMMP2
SCHEMBL4452656 0.75 PKM (0.35) PKM
SCHEMBL4452679 0.74 CTSB (0.32) ALDH1A1MAPTITGB3ITGA2BADAMTS4
SCHEMBL3747259 0.72 F10 (0.58)
SCHEMBL4556596 0.69 PLAU (0.41) ITGB3ITGA2B
SCHEMBL4365696 0.69 CA2 (0.51) ALDH1A1TYMSMAPTTDP1POLB
SCHEMBL4516502 0.66 TDP1 (0.61) ALDH1A1MAPTTDP1POLBMMP2

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 ALDH1A1 1671/4885TYMS 700/4885MAPT 1716/4885

“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.