SCHEMBL17475367

SCHEMBL17475367

CC(C)C(C(=O)ON)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
APP P05067 1/20 0.31
ABCB1 P08183 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
SCHEMBL25404727 1.00 DGAT1 (0.34) DGAT1CA1CA2CA7LMNA
SCHEMBL17965817 0.89 CA1 (0.39) DGAT1CA1CA2CA7LMNA
SCHEMBL27659910 0.85 LMNA (0.31) DGAT1CA1CA2CA7LMNA
SCHEMBL28802149 0.78 CA1 (0.36) DGAT1CA1CA2CA7LMNA
SCHEMBL27357842 0.78 NOS1 (0.38) DGAT1CA1CA2CA7LMNA
SCHEMBL27790857 0.77 DGAT1 (0.35) DGAT1CA1CA2CA7LMNA
SCHEMBL17094539 0.75 LMNA (0.39) DGAT1CA1CA2CA7LMNA
SCHEMBL17094267 0.75 LMNA (0.39) DGAT1CA1CA2CA7LMNA
SCHEMBL3183015 0.75 LMNA (0.39) DGAT1CA1CA2CA7LMNA
SCHEMBL1629957 0.75 DPP4 (0.32) DGAT1CA1CA2CA7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031927-A1 Alkyl 2--propionates, nucleoside inhibitors of HCV RNA-polymerase NS5B, methods for preparation and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (RU) 2016-02-04 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-20160031927-A1 Alkyl 2--propionates, nucleoside inhibitors of HCV RNA-polymerase NS5B, methods for preparation and use thereof RNGTT, NSUN2, MED1 DGAT1 329/4885CA1 3871/4885CA2 4026/4885

“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.