SCHEMBL12232575

SCHEMBL12232575

CC(C)CCCCCNS(=O)(=O)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.57
REN P00797 1/20 0.38
PPARA Q07869 2/20 0.35
HTR1A P08908 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
RELA Q04206 4/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 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
SCHEMBL10147425 0.92 GRIA1 (0.50) GRIA1RENHTR1AKCNH2LMNA
SCHEMBL10141254 0.84 GRIA1 (0.57) GRIA1PPARARELACA1CA2
SCHEMBL14652011 0.83 GRIA1 (0.75) GRIA1PPARAHTR1ALMNACA1
SCHEMBL19996825 0.83 GRIA1 (0.43) GRIA1RENHTR1AKCNH2KMT2A
SCHEMBL18949031 0.82 GRIA1 (0.54) GRIA1PPARARELACA1CA2
SCHEMBL28631180 0.79 GRIA1 (0.50) GRIA1PPARALMNACA1CA2
SCHEMBL28624948 0.79 GRIA1 (0.50) GRIA1PPARALMNACA1CA2
SCHEMBL1728264 0.79 GRIA1 (0.50) GRIA1PPARALMNACA1CA2
SCHEMBL12967013 0.79 GRIA1 (0.50) GRIA1PPARALMNACA1CA2
SCHEMBL1728036 0.79 GRIA1 (0.50) GRIA1PPARALMNACA1CA2

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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GRIA1 4165/4885REN 3394/4885PPARA 1718/4885

“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.