SCHEMBL10200527

SCHEMBL10200527

CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)CCc3ccc(Cl)cc3)C(=O)N12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.46
IL1B P01584 2/20 0.42
LCK P06239 5/20 0.38
ALDH1A1 P00352 1/20 0.35
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
FKBP1A P62942 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 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
SCHEMBL10201622 0.93 CASP1 (0.53) CASP1IL1BLCKALDH1A1ITGB1
SCHEMBL10200518 0.92 CASP1 (0.54) CASP1IL1BLCKALDH1A1
SCHEMBL10200533 0.87 CASP1 (0.43) CASP1IL1BALDH1A1ITGB1ITGA4
SCHEMBL13139794 0.86 CASP1 (0.45) CASP1IL1BLCKITGB1ITGA4
SCHEMBL10201600 0.86 CASP1 (0.61) CASP1IL1B
SCHEMBL10200520 0.85 CASP1 (0.54) CASP1IL1BLCK
SCHEMBL10200540 0.85 CASP1 (0.47) CASP1IL1BLCKITGB1ITGA4
SCHEMBL10200544 0.84 CASP1 (0.45) CASP1IL1BLCKALDH1A1
SCHEMBL10200514 0.82 CASP1 (0.53) CASP1IL1BLCK
SCHEMBL10200547 0.81 CASP1 (0.43) CASP1IL1BALDH1A1ITGB1ITGA4

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 3/4885LCK 3586/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885LCK 3586/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885LCK 3629/4885

“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.