SCHEMBL4599097

SCHEMBL4599097

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nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.43
GZMB P10144 3/20 0.39
CASP1 P29466 6/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GNPAT O15228 1/20 0.36

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
SCHEMBL8360127 1.00 CASP3 (0.43) CASP3GZMBCASP1KDM4EMAPT
SCHEMBL4599055 1.00 CASP3 (0.43) CASP3GZMBCASP1KDM4EMAPT
SCHEMBL7275397 0.85 CASP1 (0.41) CASP3GZMBCASP1
SCHEMBL23288380 0.84 ALDH1A1 (0.39) CASP3GZMBKDM4EMAPTTHRB
SCHEMBL5454579 0.81 KDM4E (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL11557965 0.81 KDM4E (0.32) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12809931 0.81 CASP3 (0.45) CASP3GZMBCASP1
SCHEMBL7275500 0.81 CASP3 (0.45) CASP3GZMBCASP1
SCHEMBL200456 0.79 PLA2G2C (0.40)
SCHEMBL24809460 0.79 PLA2G2C (0.40)

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
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP CASP3 101/4885GZMB 2500/4885CASP1 100/4885

“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.