SCHEMBL4450993

SCHEMBL4450993

CC(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)O)c(C(C)C)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.44
MMP13 P45452 1/20 0.44
TYMS P04818 1/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MMP2 P08253 7/20 0.42
MMP9 P14780 6/20 0.42
ICMT O60725 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.41
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13866546 0.82 F10 (0.55)
SCHEMBL3747259 0.81 F10 (0.58)
SCHEMBL7300170 0.77 POLB (0.55) ADAMTS4MMP13POLBALDH1A1MAPT
SCHEMBL7300164 0.77 POLB (0.55) ADAMTS4MMP13POLBALDH1A1MAPT
SCHEMBL7240211 0.75 ALDH1A1 (0.56) ADAMTS4MMP13TYMSPOLBALDH1A1
SCHEMBL7240207 0.75 ALDH1A1 (0.56) ADAMTS4MMP13TYMSPOLBALDH1A1
SCHEMBL25453255 0.74 CYP2D6 (0.52) POLBALDH1A1CYP2C19CYP1A2HTT
SCHEMBL4557815 0.74 ITGB3 (0.42) ALDH1A1
SCHEMBL2780433 0.72 CYP2D6 (0.49) ALDH1A1CYP2C19HTTCYP2D6CYP2C9
SCHEMBL6193349 0.72 CYP2D6 (0.49) ALDH1A1CYP2C19HTTCYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 EP disclosed
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
EP-1511721-A2 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS Wilex AG (DE) 2005-03-09 EP disclosed
WO-2003103644-A2 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2003-12-18 WO 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 ADAMTS4 297/4885MMP13 121/4885TYMS 700/4885

“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.