SCHEMBL10248224

SCHEMBL10248224

COc1ccc(C(=O)NN2CCC(=O)N3CCCC(C(=O)NC(C=O)CC(=O)O)N3C2=O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.53
IL1B P01584 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ACKR3 P25106 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP8 Q14790 1/20 0.34
CASP10 Q92851 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10199963 1.00 CASP1 (0.53) CASP1IL1BTAS1R3TAS1R1ITGB1
SCHEMBL10199893 0.92 CASP1 (0.57) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10247847 0.92 CASP1 (0.57) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10251756 0.91 CASP1 (0.52) CASP1IL1BTAS1R3TAS1R1ITGB1
SCHEMBL10199917 0.91 CASP1 (0.52) CASP1IL1BTAS1R3TAS1R1ITGB1
SCHEMBL13139610 0.88 CASP1 (0.55) CASP1IL1BITGB1ITGA4LMNA
SCHEMBL13139631 0.88 CASP1 (0.61) CASP1IL1BITGB1ITGA4
SCHEMBL10199886 0.88 CASP1 (0.58) CASP1IL1BTSHRMAPK1RAB9A
SCHEMBL10199906 0.88 CASP1 (0.55) CASP1IL1BTAS1R3TAS1R1ITGB1
SCHEMBL10247827 0.88 CASP1 (0.58) CASP1IL1BTSHRMAPK1RAB9A

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 3/4885TAS1R3 3754/4885

“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.