SCHEMBL12450653

SCHEMBL12450653

C[C@@H](C(=O)NCC=O)n1cccc(NC(=O)CCc2ccccc2)c1=O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.70
IL1B P01584 3/20 0.70
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 3/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL27459971 0.85 CASP1 (0.68) CASP1IL1BRAB9AMAPTHTT
SCHEMBL949022 0.85 CASP1 (0.68) CASP1IL1BRAB9AMAPTHTT
SCHEMBL12914538 0.82 CASP1 (1.00) CASP1IL1B
SCHEMBL27551609 0.82 CASP1 (1.00) CASP1IL1B
SCHEMBL952004 0.82 CASP1 (0.64) CASP1IL1BRAB9AMAPTHTT
SCHEMBL27546462 0.82 CASP1 (0.64) CASP1IL1BRAB9AMAPTHTT
SCHEMBL12450460 0.82 CASP1 (0.88) CASP1IL1BRAB9APOLB
SCHEMBL12450650 0.79 CASP1 (0.67) CASP1IL1BRAB9AMAPTHTT
SCHEMBL12450850 0.74 CASP1 (0.51) CASP1IL1BMAPTPOLBSMN1; SMN2
SCHEMBL8648026 0.74 ALDH1A1 (0.58) CASP1IL1BRAB9AMAPTHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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 (1 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885RAB9A 2305/4885

“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.