SCHEMBL5440671

SCHEMBL5440671

NC(=O)c1ccccc1CS(=O)(=O)C[CH]C(=O)NCC(=O)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP12 P39900 2/20 0.36
GAA P10253 1/20 0.36
KAT6A Q92794 3/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM17 P78536 1/20 0.34
MEP1B Q16820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
IKBKB O14920 1/20 0.33
MEN1 O00255 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
SCHEMBL5484256 0.71 CTSK (0.33) KAT6AKCNA5MMP2MMP9
SCHEMBL6738439 0.70 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL5441931 0.70 KDM4E (0.34) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL5441976 0.70 KDM4E (0.34) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL5440806 0.68 PARP1 (0.35) GAAEPHX2ALDH1A1MEN1POLB
SCHEMBL5447008 0.68 TP53 (0.33) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL6739714 0.66 CTSC (0.33) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL5445384 0.66 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL6807320 0.66 ALDH1A1 (0.39) MAPTALDH1A1KDM4EIKBKBMEN1
SCHEMBL5440019 0.65 KDM4E (0.33) ALDH1A1MMP2MMP13KDM4EKMT2A

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
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 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-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE MMP1 421/4885MMP12 257/4885GAA 21/4885

“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.