SCHEMBL4204181

SCHEMBL4204181

CCCCCCCCC1(C)SC(=O)C(C)(C)C1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.60
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP3 P08254 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
PTPN1 P18031 3/20 0.30
ACP1 P24666 2/20 0.30
CDC25B P30305 2/20 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
SCHEMBL13946478 1.00 CPT1A (0.60) CPT1AKMT2ATDP1MEN1GAA
SCHEMBL4209051 1.00 CPT1A (0.60) CPT1AKMT2ATDP1MEN1GAA
SCHEMBL13946474 1.00 CPT1A (0.60) CPT1AKMT2ATDP1MEN1GAA
SCHEMBL4202184 1.00 CPT1A (0.60) CPT1AKMT2ATDP1MEN1GAA
SCHEMBL4196990 0.76 CPT1A (1.00) CPT1A
SCHEMBL4200414 0.76 CPT1A (1.00) CPT1A
SCHEMBL13969425 0.76 CPT1A (1.00) CPT1A
SCHEMBL13852342 0.76 CPT1A (1.00) CPT1A
SCHEMBL5804378 0.68 ALDH1A1 (0.50) CPT1AMMP2MMP9MMP3MMP8
SCHEMBL13547584 0.68 CPT1A (0.43) CPT1AKMT2ATDP1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005435-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, and Methods of Use for Same FAS SECURED CREDITORS HOLDCO, LLC 2009-01-01 US disclosed
US-20090005435-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, and Methods of Use for Same FAS SECURED CREDITORS HOLDCO, LLC 2009-01-01 US disclosed
EP-1758577-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME Fasgen, LLC (US) 2007-03-07 EP disclosed
WO-2005117590-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN, LLC (US) 2005-12-15 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-20090005435-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, and Methods of Use for Same C1R, CNR1, CYP3A5 CPT1A 365/4885KMT2A 4172/4885TDP1 4466/4885

“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.