SCHEMBL10248630

SCHEMBL10248630

O=C(O)[C@@H]1CCCN2C(=O)CCN(Nc3ccccc3)C(=O)N12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.47
MME P08473 3/20 0.47
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP1 P29466 5/20 0.37
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGA4 P13612 1/20 0.36
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
DGAT1 O75907 2/20 0.35
IL1B P01584 1/20 0.35
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10284940 0.84 ACE (0.46) ACEMMEALDH1A1SMN1; SMN2CASP1
SCHEMBL13139868 0.81 ACE (0.50) ACEMMEALDH1A1SMN1; SMN2CASP1
SCHEMBL10248519 0.80 CASP1 (0.63) ACEMMECASP1ITGB1ITGA4
SCHEMBL10248658 0.76 CASP1 (0.49) ACEMMECASP1IL1B
SCHEMBL10200832 0.76 ACE (0.62) ACEMMECASP1IL1B
SCHEMBL10201650 0.75 ACE (0.41) ACEMMECASP1KMT2A
SCHEMBL10201691 0.72 NPC1 (0.43) ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL3914079 0.72 ACE (0.55) ACEMMEALDH1A1SMN1; SMN2
SCHEMBL13815136 0.71 ACE (0.35) ACEMMECASP1
SCHEMBL10248534 0.71 ACE (0.41) ACEMMECASP1KMT2AHTT

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-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

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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ACE 16/4885MME 279/4885ALDH1A1 422/4885

“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.