SCHEMBL5445430

SCHEMBL5445430

NC1CCCN(S(=O)(=O)N2CCCC2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
DPP4 P27487 3/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL5105187 0.82 MAPK1 (0.38) POLBTSHRKMT2AALDH1A1KDM4E
SCHEMBL5447085 0.74 PKM (0.55) POLBTSHRKMT2AALDH1A1KDM4E
SCHEMBL5099593 0.72 MAPT (0.53) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL14565752 0.72 POLB (0.37) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL5455308 0.71 KMT2A (0.53) TSHRKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL6557754 0.71 POLB (0.52) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL5446827 0.70 PKM (0.55) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL5445260 0.70 MEN1 (0.62) TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL5444937 0.70 KDM4E (0.52) POLBTSHRKMT2AALDH1A1KDM4E
SCHEMBL4768241 0.70 CTSK (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 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
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US disclosed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 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 (2 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE POLB 1961/4885TSHR 4285/4885KMT2A 4602/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE POLB 1961/4885TSHR 4285/4885KMT2A 4602/4885

“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.