SCHEMBL5428772

SCHEMBL5428772

C=C(CC(=O)NC(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.38
TET2 Q6N021 4/20 0.37
TET3 O43151 1/20 0.37
TET1 Q8NFU7 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRM1 Q13255 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
SCHEMBL5909175 0.77 MEN1 (0.52) TSHRMEN1KMT2AFAAHMAPK1
Itaconate SCHEMBL7567663 0.77 TSHR (0.64) ALOX15HSD17B10TSHRMEN1KMT2A
SCHEMBL2608299 0.76 TSHR (0.46) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL9911495 0.75 MEN1 (0.46) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL40805 0.75 MEN1 (0.50) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL3313335 0.75 MEN1 (0.50) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL23106522 0.74 TSHR (0.44) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL18383720 0.74 TSHR (0.44) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL3895585 0.73 ALOX15 (0.44) ALOX15HSD17B10KMT2ATET2TET3
SCHEMBL26239594 0.73 MEN1 (0.50) TSHRMEN1KMT2AFAAHMAPK1

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 disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (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 ALOX15 1254/4885HSD17B10 3410/4885TSHR 4359/4885

“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.