SCHEMBL12723992

SCHEMBL12723992

COC(=O)C(C)(NCCC(C)(C)C)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.35
ALDH1A1 P00352 1/20 0.32
DGAT1 O75907 1/20 0.31
LATS1 O95835 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
SCHEMBL1632262 0.77 MLYCD (0.33) MLYCD
SCHEMBL1630787 0.76 DGAT1 (0.35) MLYCDDGAT1
SCHEMBL1630712 0.72 DGAT1 (0.32) DGAT1
SCHEMBL1632253 0.70 DGAT1 (0.35) DGAT1
SCHEMBL27797021 0.68 NAALAD2 (0.35) MLYCDALDH1A1
SCHEMBL1630836 0.68 MMP8 (0.36)
SCHEMBL10005804 0.67 DGAT1 (0.34) ALDH1A1DGAT1
SCHEMBL19169471 0.65 DGAT1 (0.39) ALDH1A1DGAT1
SCHEMBL27818651 0.64 MLYCD (0.33) MLYCD
SCHEMBL14533429 0.64 DGAT1 (0.35) ALDH1A1DGAT1

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-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H MLYCD 1712/4885ALDH1A1 1722/4885DGAT1 1119/4885

“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.