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SCHEMBL10263258

SCHEMBL10263258

COc1ccc(C(=O)NN2CCC(=O)N3CCC[C@@H](C(=O)N[C@H]4CC(=O)OC4OCc4ccccc4)N3C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 8/20 0.47
▸ CASP3 P42574 3/20 0.47
▸ CASP8 Q14790 3/20 0.47
▸ KLK7 P49862 1/20 0.39
▸ LCK P06239 3/20 0.36
▸ IL1B P01584 1/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL10199598 0.94 CASP1 (0.49) CASP1CASP3CASP8KLK7LCK
SCHEMBL10247719 0.94 CASP1 (0.49) CASP1CASP3CASP8KLK7LCK
SCHEMBL13139576 0.94 CASP1 (0.49) CASP1CASP3CASP8KLK7LCK
SCHEMBL10200191 0.93 CASP1 (0.48) CASP1CASP3CASP8KLK7LCK
SCHEMBL13178902 0.93 CASP1 (0.48) CASP1CASP3CASP8KLK7LCK
SCHEMBL10200199 0.93 CASP1 (0.48) CASP1CASP3CASP8KLK7LCK
SCHEMBL10284657 0.89 KLK7 (0.40) CASP1CASP3CASP8KLK7LCK
SCHEMBL10199382 0.87 CASP1 (0.49) CASP1CASP3CASP8IL1B
SCHEMBL10247722 0.87 CASP1 (0.49) CASP1CASP3CASP8IL1B
SCHEMBL645869 0.87 CASP1 (0.61) CASP1CASP3CASP8LCKIL1B

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-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 6/4885CASP3 85/4885CASP8 131/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885CASP3 67/4885CASP8 115/4885

“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.