SCHEMBL371133

SCHEMBL371133

CC(OC(=O)NC(CC(C)(F)F)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.44
HTT P42858 1/20 0.43
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
OPRM1 P35372 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL345035 0.88 TACR3 (0.43) CTSKHTTOPRM1PPARGPPARA
SCHEMBL346061 0.85 CTSK (0.46) CTSKHTTLPAR1LPAR3
SCHEMBL9830861 0.82 CTSK (0.48) CTSKHTTLPAR1LPAR3HCAR2
SCHEMBL9830863 0.82 CTSK (0.48) CTSKHTTLPAR1LPAR3HCAR2
SCHEMBL345954 0.80 CTSK (0.46) CTSKHTTLPAR1LPAR3HCAR2
SCHEMBL345120 0.78 CTSK (0.46) CTSKHTTLPAR1LPAR3HCAR2
SCHEMBL346953 0.77 CTSS (0.58) CTSKPPARGPPARA
SCHEMBL346954 0.77 CTSS (0.58) CTSKPPARGPPARA
SCHEMBL10654631 0.76 PPARA (0.46) CTSKHTTLPAR1LPAR3HCAR2
SCHEMBL15869729 0.76 CTSK (0.44) CTSKHTTLPAR1LPAR3HCAR2

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-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSK 87/4885HTT 2277/4885LPAR1 4648/4885

“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.