SCHEMBL5428522

SCHEMBL5428522

CC(C)S(=O)(=O)N1CCC[CH]C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GRM5 P41594 2/20 0.33
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.33
NPBWR1 P48145 1/20 0.33
EPHX2 P34913 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NAMPT P43490 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
SCHEMBL5428525 0.73 MAPT (0.47) LMNAALDH1A1TSHRGAACYP2C19
SCHEMBL1067872 0.71 EPHX2 (0.34) KMT2AMEN1LMNAEPHX2NAMPT
SCHEMBL5418503 0.71 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1
SCHEMBL5420500 0.70 PKM (0.55) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL5405216 0.70 EPHX2 (0.44) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL16022965 0.70 EPHX2 (0.44) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL24735804 0.68 CA1 (0.48) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL15893903 0.68 CA1 (0.48) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL777414 0.68 CA1 (0.48) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL17631813 0.66 EPHX2 (0.36) KMT2AMEN1LMNAALDH1A1GRM5

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 KMT2A 4623/4885MEN1 4485/4885LMNA 1707/4885

“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.