SCHEMBL12450754

SCHEMBL12450754

C=C1CCC(NC(=O)CCc2ccccc2)C(=O)N2[C@H](C=O)CCCN12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.42
MME P08473 4/20 0.42
CASP1 P29466 3/20 0.40
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL10200741 0.87 ACE (0.56) ACEMMECASP1
SCHEMBL10263278 0.83 ACE (0.40) ACEMMECASP1
SCHEMBL12946454 0.81 CASP1 (0.55) ACEMMECASP1
SCHEMBL12450752 0.81 CASP1 (0.55) ACEMMECASP1
SCHEMBL10200742 0.81 CASP1 (0.65) ACEMMECASP1
SCHEMBL10200744 0.81 ACE (0.44) ACEMMECASP1
SCHEMBL12443691 0.78 LCK (0.43) ACEMMECASP1
SCHEMBL645030 0.77 ACE (0.68) ACEMMECASP1
SCHEMBL645727 0.77 ACE (0.68) ACEMMECASP1
SCHEMBL12443714 0.76 MME (0.48) ACEMMETPSAB1TPSD1TPSG1

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 2 patents. 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
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 ACE 6/4885MME 97/4885CASP1 5/4885

“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.