Sugi Predict

Sugi Predict / Compounds / SCHEMBL10200536

SCHEMBL10200536

SCHEMBL10200536

CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)/C=C/c3ccc4c(c3)OCO4)C(=O)N12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 0.41
▸ MAOB P27338 3/20 0.39
▸ IL1B P01584 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL10201628 0.94 CASP1 (0.48) CASP1MAOBIL1BKDM4EALDH1A1
SCHEMBL10200538 0.88 CASP1 (0.43) CASP1IL1B
SCHEMBL10200526 0.86 CASP1 (0.44) CASP1IL1BALDH1A1SMN1; SMN2KMT2A
SCHEMBL10200547 0.86 CASP1 (0.43) CASP1IL1BALDH1A1KMT2AMAPT
SCHEMBL10200533 0.85 CASP1 (0.43) CASP1IL1BALDH1A1KMT2AMAPT
SCHEMBL10201627 0.81 CASP1 (0.50) CASP1IL1BKMT2AMAPTLMNA
SCHEMBL10248229 0.81 CASP1 (0.58) CASP1IL1BHPGD
SCHEMBL10199907 0.81 CASP1 (0.58) CASP1IL1BHPGD
SCHEMBL10199765 0.81 CASP1 (0.54) CASP1IL1BRAB9ASMN1; SMN2HPGD
SCHEMBL10247783 0.81 CASP1 (0.54) CASP1IL1BRAB9ASMN1; SMN2HPGD

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-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-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 (3 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 6/4885MAOB 1472/4885IL1B 3/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885MAOB 1472/4885IL1B 3/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885MAOB 1620/4885IL1B 2/4885

“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.