SCHEMBL4462974

SCHEMBL4462974

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.38
ITGA2B P08514 5/20 0.38
ITGAV P06756 5/20 0.38
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
TYMS P04818 1/20 0.35
MMP2 P08253 5/20 0.35
MMP9 P14780 4/20 0.35
ADAMTS4 O75173 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4459041 0.86 ITGB3 (0.36) ITGB3ITGA2BITGAVHTT
SCHEMBL4464577 0.85 ALDH1A1 (0.38) ITGB3ITGA2BITGAVHTTALDH1A1
SCHEMBL4556596 0.82 PLAU (0.41) ITGB3ITGA2B
SCHEMBL4452679 0.77 CTSB (0.32) ITGB3ITGA2BITGAVALDH1A1MAPT
SCHEMBL3747259 0.76 F10 (0.58)
SCHEMBL4450993 0.74 ADAMTS4 (0.44) HTTALDH1A1MAPTPOLBTYMS
SCHEMBL4457655 0.73 KEAP1 (0.32) ALDH1A1
SCHEMBL4557815 0.70 ITGB3 (0.42) ITGB3ITGA2BALDH1A1
SCHEMBL6551536 0.66 THRA (0.31)
SCHEMBL7239603 0.64 HTT (0.57) HTTALDH1A1MAPTPOLBMMP2

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 ITGB3 2345/4885ITGA2B 4012/4885ITGAV 3532/4885

“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.