SCHEMBL347305

SCHEMBL347305

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.43
CTSK P43235 3/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
LPAR3 Q9UBY5 2/20 0.42
OPRM1 P35372 3/20 0.41
CNR2 P34972 3/20 0.41
MME P08473 2/20 0.40

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
SCHEMBL345365 0.85 CTSK (0.48) LPAR1CTSKTSHRALDH1A1LPAR3
SCHEMBL345954 0.84 CTSK (0.46) LPAR1CTSKLPAR3OPRM1
SCHEMBL345120 0.83 CTSK (0.46) LPAR1CTSKLPAR3OPRM1
SCHEMBL9830863 0.81 CTSK (0.48) LPAR1CTSKLPAR3OPRM1MME
SCHEMBL9830861 0.81 CTSK (0.48) LPAR1CTSKLPAR3OPRM1MME
SCHEMBL4404718 0.79 CASP1 (0.60) CTSK
SCHEMBL4404722 0.79 CASP1 (0.60) CTSK
SCHEMBL345035 0.77 TACR3 (0.43) CTSKOPRM1
SCHEMBL9557312 0.76 GPR132 (0.48) ALDH1A1MME
SCHEMBL10654631 0.75 PPARA (0.46) LPAR1CTSKLPAR3

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 LPAR1 4648/4885CTSK 87/4885TSHR 4046/4885

“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.