SCHEMBL5440673

SCHEMBL5440673

NC(CS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.41
KEAP1 Q14145 1/20 0.40
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
MMP1 P03956 4/20 0.39
MMP12 P39900 2/20 0.39
GBA1 P04062 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP13 P45452 3/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP14 P50281 2/20 0.37
ADAM17 P78536 2/20 0.37
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL5484261 0.85 CA2 (0.34) LARS1CTSKCTSSMMP1GBA1
SCHEMBL6557593 0.80 KEAP1 (0.41) KEAP1CTSKCTSSMMP1MMP12
SCHEMBL5441961 0.76 CA2 (0.41) MMP12MMP2MMP9MMP14ALDH1A1
SCHEMBL6843005 0.75 CTSS (0.53) CTSKCTSSALDH1A1
SCHEMBL14491115 0.75 CTSS (0.53) CTSKCTSSALDH1A1
SCHEMBL6742782 0.75 CTSC (0.49) CTSKCTSS
SCHEMBL6742769 0.73 CTSC (0.47) CTSKCTSS
SCHEMBL6742169 0.73 CTSC (0.47) CTSKCTSS
SCHEMBL5471723 0.73 PRMT1 (0.40) KEAP1CTSKCTSSMMP1MMP12
SCHEMBL4430587 0.72 ALPI (0.56) MMP1MMP2MMP9MMP13ALDH1A1

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 3 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
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 LARS1 4202/4885KEAP1 1879/4885CTSK 8/4885

“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.