SCHEMBL9945625

SCHEMBL9945625

CC(=O)CNCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
DGAT1 O75907 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTPRC P08575 2/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LATS1 O95835 1/20 0.32
VSIR Q9H7M9 1/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32

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
SCHEMBL18407102 0.92 MAOA (0.40) CA2CA12CA14MGAMGAA
SCHEMBL783009 0.91 CA2 (0.41) CA2CA12CA14GAADGAT1
SCHEMBL7433191 0.84 CA12 (0.50) CA2CA12CA14MGAMGAA
SCHEMBL25960668 0.83 CYP1A2 (0.38) CA2CA12CA14DGAT1MAOA
SCHEMBL397677 0.83 CA2 (0.37) CA2CA12CA14GAADGAT1
SCHEMBL6535041 0.82 MAOA (0.44) CA2CA12CA14GAADGAT1
SCHEMBL25683487 0.82 MAOA (0.39) CA2CA12CA14MGAMGAA
SCHEMBL9612246 0.80 MAOA (0.43) CA2CA12CA14GAADGAT1
SCHEMBL763067 0.80 CA12 (0.38) CA2CA12CA14MGAMGAA
SCHEMBL7437449 0.79 GAA (0.48) MGAMGAASIMGAM2CTSK

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-9212189-B2 Fluorescent probes for reactive sulfur species THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-15 US disclosed
US-8901072-B2 Glycopeptide and lipoglycopeptide antibiotics with improved solubility THE MEDICINES COMPANY (US) 2014-12-02 US disclosed
US-20120329085-A1 FLUORESCENT PROBES FOR REACTIVE SULFUR SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 US disclosed
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 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 (2 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-20120329085-A1 FLUORESCENT PROBES FOR REACTIVE SULFUR SPECIES SQOR, CBS, CTH CA2 1104/4885CA12 1966/4885CA14 2089/4885
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA CA2 4043/4885CA12 2088/4885CA14 1504/4885

“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.