SCHEMBL1629957

SCHEMBL1629957

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL12027691 0.79 CA1 (0.39) SMN1; SMN2CA1CA2CA7DGAT1
SCHEMBL775818 0.78 SMN1; SMN2 (0.35) DPP4SMN1; SMN2
SCHEMBL7434659 0.76 SMN1; SMN2 (0.50) DPP4SMN1; SMN2CA1CA2CA7
SCHEMBL3147895 0.76 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL26042723 0.76 SMN1; SMN2 (0.50) DPP4SMN1; SMN2CA1CA2CA7
SCHEMBL26958374 0.76 ALDH1A1 (0.39) DPP4SLC7A5
SCHEMBL13798757 0.76 SMN1; SMN2 (0.50) DPP4SMN1; SMN2CA1CA2CA7
SCHEMBL25404727 0.75 DGAT1 (0.34) SMN1; SMN2CA1CA2CA7DGAT1
SCHEMBL17475367 0.75 DGAT1 (0.34) SMN1; SMN2CA1CA2CA7DGAT1
SCHEMBL6633558 0.74 SMN1; SMN2 (0.32) SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-2183260-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H DPP4 317/4885SMN1; SMN2 4370/4885CA1 4335/4885

“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.