SCHEMBL8380273

SCHEMBL8380273

CCC(=O)[C@@H](O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.39
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 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
SCHEMBL12505309 1.00 TDP1 (0.40) TDP1TSHRFFAR3ALDH1A1DPP4
SCHEMBL9006867 0.79 TDP1 (0.36) TDP1TSHRFFAR3ALDH1A1
SCHEMBL17975833 0.78 TSHR (0.37) TSHR
SCHEMBL12234906 0.76 TSHR (0.32) TSHR
SCHEMBL8380538 0.76 TDP1 (0.38) TDP1FFAR3ALDH1A1
SCHEMBL14665160 0.76 TDP1 (0.38) TDP1FFAR3ALDH1A1
SCHEMBL7553872 0.72 TDP1 (0.33) TDP1TSHRFFAR3ALDH1A1
SCHEMBL78128 0.72 TDP1 (0.35) TDP1
SCHEMBL8974850 0.70 TDP1 (0.33) TDP1
SCHEMBL12600741 0.70 DPP4 (0.42) TDP1TSHRFFAR3ALDH1A1DPP4

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-7910587-B2 Quinoxalinyl dipeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-03-22 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 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 (2 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-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD TDP1 2448/4885TSHR 4563/4885FFAR3 2769/4885
US-20080267918-A1 QUINOXALINYL DIPEPTIDE HEPATITIS C VIRUS INHIBITORS DPP4, CTSC, PEPD TDP1 2731/4885TSHR 4867/4885FFAR3 3606/4885

“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.