SCHEMBL10201670

SCHEMBL10201670

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.36
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
ACE P12821 4/20 0.33
PEPD P12955 2/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
LCK P06239 3/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
BRD4 O60885 1/20 0.31
MME P08473 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL10201656 0.89 CASP3 (0.36) CASP3ACELCKKMT2A
SCHEMBL10201316 0.82 FKBP1A (0.41) FKBP1APOLBCASP3ACEPEPD
SCHEMBL10201668 0.81 FKBP1A (0.38) FKBP1APOLBCASP3ACEPEPD
SCHEMBL10201690 0.77 NPC1 (0.41) POLBCASP3KMT2A
SCHEMBL13140078 0.77 FKBP1A (0.35) FKBP1APOLBCASP3ACEPEPD
SCHEMBL13815136 0.77 ACE (0.35) ACEMME
SCHEMBL10248039 0.75 CASP1 (0.56) LCK
SCHEMBL10199580 0.75 CASP1 (0.56) LCK
SCHEMBL10248534 0.74 ACE (0.41) FKBP1ACASP3ACEMMEKMT2A
SCHEMBL7326405 0.73 POLB (0.36) FKBP1APOLBCASP3ACEPEPD

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 685/4885POLB 508/4885CASP3 85/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B FKBP1A 685/4885POLB 508/4885CASP3 85/4885

“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.