SCHEMBL345035

SCHEMBL345035

CC(OC(=O)NC(CC(F)(F)Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.43
CTSK P43235 12/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
ACE P12821 1/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 3/20 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
SCHEMBL371133 0.88 CTSK (0.44) CTSKPPARAPPARGHTTOPRM1
SCHEMBL346061 0.86 CTSK (0.46) CTSKCTSLHTT
SCHEMBL346550 0.80 CTSL (0.54) CTSKCTSLCTSSPPARAPPARG
SCHEMBL346551 0.80 CTSL (0.54) CTSKCTSLCTSSPPARAPPARG
SCHEMBL9830861 0.78 CTSK (0.48) CTSKHTTOPRM1
SCHEMBL9830863 0.78 CTSK (0.48) CTSKHTTOPRM1
SCHEMBL347305 0.77 LPAR1 (0.43) CTSKOPRM1
SCHEMBL346994 0.76 LMNA (0.43) CTSKCTSSPPARAPPARGACE
SCHEMBL345954 0.76 CTSK (0.46) CTSKHTTOPRM1
Bromide SCHEMBL1200370 0.75 LMNA (0.42) CTSKCTSSPPARAPPARGACE

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 TACR3 1751/4885CTSK 87/4885CTSL 9/4885

“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.