SCHEMBL646160

SCHEMBL646160

C=CCOC(=O)NC(CC(=O)O)C(O)COC(=O)C1(c2ccccc2)C=C(C)ON1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 19/20 0.39
MAPT P10636 1/20 0.34

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
SCHEMBL7345102 0.90 CASP1 (0.33) CASP1MAPT
SCHEMBL1409128 0.90 CASP1 (0.33) CASP1MAPT
SCHEMBL646188 0.69 CASP1 (0.44) CASP1
SCHEMBL646998 0.69 CASP1 (0.53) CASP1
SCHEMBL647269 0.68 CASP1 (0.48) CASP1MAPT
SCHEMBL644763 0.68 ADRB2 (0.44) CASP1
SCHEMBL645196 0.66 CASP1 (0.45) CASP1
SCHEMBL5831798 0.61 KLK5 (0.50) CASP1
SCHEMBL9697852 0.61 CASP1 (0.43) CASP1
SCHEMBL26623307 0.60 CASP1 (0.43) CASP1

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885MAPT 1662/4885

“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.