SCHEMBL5094877

SCHEMBL5094877

CC(C)C(=O)C(C)(C(=O)O)C(c1ccc(F)cc1)C1CCCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
DPP4 P27487 5/20 0.34
DPP7 Q9UHL4 3/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP8 Q6V1X1 3/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSD P07339 1/20 0.31
PER2 O15055 1/20 0.31
CCR2 P41597 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL28103954 0.69 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28103953 0.69 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14079281 0.69 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7044702 0.63 CA1 (0.41) ALDH1A1CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL12210573 0.61 L3MBTL1 (0.43) ALDH1A1CTSDCCR2
SCHEMBL6734281 0.61 L3MBTL1 (0.43) ALDH1A1CTSDCCR2
SCHEMBL10160076 0.61 L3MBTL1 (0.43) ALDH1A1CTSDCCR2
SCHEMBL10244747 0.60 CHRM1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL25888587 0.60 CHRM1 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1565063 0.58 HTR1E (0.47) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420059-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 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-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy HMGCR, LDLR, APOB PSEN1 132/4885PSEN2 189/4885APH1B 850/4885

“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.