SCHEMBL10201668

SCHEMBL10201668

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.38
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
POLB P06746 1/20 0.36
PEPD P12955 3/20 0.36
XPNPEP1 Q9NQW7 2/20 0.36
CASP3 P42574 1/20 0.35
ACE P12821 4/20 0.34
BRD4 O60885 1/20 0.33
MME P08473 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 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
SCHEMBL10201660 0.86 CASP3 (0.39) CASP3ACEKMT2A
SCHEMBL10201316 0.85 FKBP1A (0.41) FKBP1AMMP2ANPEPPOLBPEPD
SCHEMBL10201670 0.81 FKBP1A (0.36) FKBP1AMMP2ANPEPPOLBPEPD
SCHEMBL13140078 0.80 FKBP1A (0.35) FKBP1AMMP2ANPEPPOLBPEPD
SCHEMBL1490176 0.79 ACE (0.40) FKBP1AMMP2ANPEPPOLBPEPD
SCHEMBL7326405 0.76 POLB (0.36) FKBP1AMMP2ANPEPPOLBPEPD
SCHEMBL10663842 0.76 ACE (0.40) FKBP1AMMP2ANPEPPOLBPEPD
SCHEMBL10669987 0.73 ACE (0.48) FKBP1AMMP2ANPEPPOLBPEPD
SCHEMBL10247908 0.72 CASP1 (0.60) CASP3ACEMME
SCHEMBL10199220 0.72 CASP1 (0.60) CASP3ACEMME

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 9 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-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-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-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-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 FKBP1A 685/4885MMP2 317/4885ANPEP 82/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B FKBP1A 685/4885MMP2 317/4885ANPEP 82/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 FKBP1A 832/4885MMP2 212/4885ANPEP 116/4885

“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.