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SCHEMBL10199751

SCHEMBL10199751

Cc1c(O)cccc1C(=O)NN1CCC(=O)N2CCC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)N2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 12/20 0.55
▸ IL1B P01584 2/20 0.55
▸ GZMB P10144 1/20 0.35
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ LCK P06239 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 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
SCHEMBL10248091 1.00 CASP1 (0.55) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10199712 0.92 CASP1 (0.55) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10248195 0.92 CASP1 (0.55) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10199841 0.90 CASP1 (0.59) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10247956 0.90 CASP1 (0.59) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10247962 0.87 CASP1 (0.59) CASP1IL1BLCKF2PLG
SCHEMBL10199593 0.87 CASP1 (0.59) CASP1IL1BLCKF2PLG
SCHEMBL10251603 0.87 CASP1 (0.59) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10251701 0.87 CASP1 (0.73) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10199801 0.87 CASP1 (0.73) CASP1IL1BGZMBITGB1ITGA4

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 5 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 — — 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 (2 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 6/4885IL1B 3/4885GZMB 780/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885GZMB 843/4885

“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.