SCHEMBL5428525

SCHEMBL5428525

CCCS(=O)(=O)N1CCC[CH]C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL5428522 0.73 KMT2A (0.36) TSHRL3MBTL1GAAALDH1A1CYP2C19
SCHEMBL1067874 0.73 L3MBTL1 (0.41) MAPTTSHRL3MBTL1KDM4EGAA
SCHEMBL178417 0.72 L3MBTL1 (0.49) MAPTTSHRL3MBTL1KDM4EGAA
SCHEMBL31030375 0.72 L3MBTL1 (0.49) MAPTTSHRL3MBTL1KDM4EGAA
SCHEMBL4277869 0.70 L3MBTL1 (0.47) TSHRL3MBTL1KDM4EGAAPKM
SCHEMBL5420500 0.68 PKM (0.55) TSHRKDM4EGAAPKMALDH1A1
SCHEMBL23555007 0.68 L3MBTL1 (0.56) MAPTTSHRL3MBTL1KDM4EGAA
SCHEMBL4288139 0.67 L3MBTL1 (0.49) MAPTTSHRL3MBTL1KDM4EGAA
SCHEMBL30366231 0.67 GFER (0.46) MAPTTSHRL3MBTL1KDM4EGAA
SCHEMBL1820643 0.66 TSHR (0.47) MAPTTSHRL3MBTL1KDM4EGAA

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MAPT 2065/4885TSHR 4359/4885L3MBTL1 4113/4885

“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.