SCHEMBL10247865

SCHEMBL10247865

Cc1cc2c(cc1C(=O)NN1CCC(=O)N3CCCC(C(=O)NC(C=O)CC(=O)O)N3C1=O)OCO2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.50
IL1B P01584 2/20 0.49
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CTSK P43235 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
GZMB P10144 2/20 0.30
CASP4 P49662 1/20 0.30
CASP5 P51878 1/20 0.30
CASP7 P55210 1/20 0.30
CASP9 P55211 1/20 0.30
CASP8 Q14790 1/20 0.30
CASP10 Q92851 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10199739 1.00 CASP1 (0.50) CASP1IL1BITGB1ITGA4CTSK
SCHEMBL10247783 0.89 CASP1 (0.54) CASP1IL1BITGB1ITGA4CTSK
SCHEMBL10199765 0.89 CASP1 (0.54) CASP1IL1BITGB1ITGA4CTSK
SCHEMBL10251706 0.86 CASP1 (0.52) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199911 0.86 CASP1 (0.52) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199841 0.86 CASP1 (0.59) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10247956 0.86 CASP1 (0.59) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10199498 0.85 CASP1 (0.68) CASP1IL1BCASP8CASP3
SCHEMBL10201614 0.85 CASP1 (0.51) CASP1IL1BITGB1ITGA4CTSK
SCHEMBL10201636 0.83 CASP1 (0.50) CASP1IL1BITGB1ITGA4MAPT

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-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885ITGB1 1654/4885

“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.