Sugi Predict

Sugi Predict / Compounds / SCHEMBL10200526

SCHEMBL10200526

SCHEMBL10200526

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 0.44
▸ IL1B P01584 2/20 0.42
▸ CTSK P43235 1/20 0.36
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10201614 0.94 CASP1 (0.51) CASP1IL1BCTSKTSHRHPGD
SCHEMBL10200547 0.87 CASP1 (0.43) CASP1IL1BKMT2APOLBMAPT
SCHEMBL10200533 0.86 CASP1 (0.43) CASP1IL1BKMT2APOLBMAPT
SCHEMBL10200519 0.86 CASP1 (0.56) CASP1IL1BCTSK
SCHEMBL10199765 0.86 CASP1 (0.54) CASP1IL1BCTSKTSHRHPGD
SCHEMBL10247783 0.86 CASP1 (0.54) CASP1IL1BCTSKTSHRHPGD
SCHEMBL10200529 0.86 CASP1 (0.49) CASP1IL1BCTSKTSHRSMN1; SMN2
SCHEMBL10200536 0.86 CASP1 (0.41) CASP1IL1BKMT2AMAPTHPGD
SCHEMBL10200549 0.83 CASP1 (0.45) CASP1IL1BCTSKALDH1A1
SCHEMBL10200539 0.82 CASP1 (0.43) CASP1IL1BITGB1ITGA4

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 6/4885IL1B 3/4885CTSK 133/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885CTSK 133/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885CTSK 129/4885

“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.