SCHEMBL4180966

SCHEMBL4180966

CC(C)(C)OC(=O)C1(F)CC1.N=S(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL4955304 0.90 DGAT1 (0.38) DGAT1CYP4F2CYP4A11
SCHEMBL30659863 0.80 DGAT1 (0.34) DGAT1CYP4F2CYP4A11
SCHEMBL4214456 0.78 DGAT1 (0.36) DGAT1
SCHEMBL27426214 0.77 KDM4E (0.32) DGAT1CYP4F2CYP4A11
SCHEMBL15722043 0.77 USP2 (0.32) CYP4F2CYP4A11
SCHEMBL15867795 0.76 CHRM2 (0.39) DGAT1
SCHEMBL15867794 0.76 CHRM2 (0.39) DGAT1
SCHEMBL15722040 0.76 MAPK1 (0.33) DGAT1
SCHEMBL27425090 0.75 HRH3 (0.42) CYP4F2CYP4A11
SCHEMBL4193423 0.74 CYP4F2 (0.40) DGAT1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 DGAT1 3049/4885CYP4F2 741/4885CYP4A11 483/4885

“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.