SCHEMBL5438728

SCHEMBL5438728

NC(=O)C1(NC(=O)[CH]CS(=O)(=O)Cc2ccccc2OC(F)F)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.31
TNF P01375 1/20 0.31
KMT2A Q03164 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL5445593 0.95 CA12 (0.33) CA12CA1CA2CA9MAPK1
SCHEMBL5445291 0.94 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL6062047 0.76 CTSS (0.36) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5435050 0.69 L3MBTL1 (0.32) CA12CA1CA2CA9KMT2A
SCHEMBL6061716 0.69 L3MBTL1 (0.32) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5696557 0.65 TNF (0.43) TNFKMT2A
SCHEMBL7666708 0.65 CTSS (0.34)
SCHEMBL6630648 0.64 KMT2A (0.65) SMN1; SMN2TNFKMT2A
SCHEMBL1271303 0.63 TNF (0.44) TNFKMT2A
SCHEMBL5438734 0.63 KMT2A (0.34) CA12CA1CA2CA9KMT2A

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 CA12 706/4885CA1 338/4885CA2 207/4885

“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.