SCHEMBL10200768

SCHEMBL10200768

O=C(O)CN1C(=O)[C@@H](NC(=O)CCc2ccccc2)CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.67
MME P08473 7/20 0.67
ABCB11 O95342 1/20 0.61
AGTR2 P50052 1/20 0.61
PDE3A Q14432 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 1/20 0.60
CYP3A4 P08684 1/20 0.60
CCKBR P32239 1/20 0.59

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
SCHEMBL8050289 0.90 ACE (0.70) ACEMMECCKBR
SCHEMBL10200771 0.90 XIAP (0.56) ACEMMEABCB11AGTR2PDE3A
SCHEMBL13139826 0.85 ACE (0.53) ACEMMEABCB11AGTR2PDE3A
SCHEMBL10200770 0.85 ACE (0.53) ACEMMEABCB11AGTR2PDE3A
SCHEMBL8056271 0.83 ACE (0.74) ACEMMECCKBR
SCHEMBL16744074 0.83 ACE (0.67) ACEMMEABCB11AGTR2PDE3A
SCHEMBL27662942 0.81 ACE (0.68) ACEMMECCKBR
SCHEMBL6440328 0.80 ACE (1.00) ACEMME
SCHEMBL7444571 0.80 ACE (1.00) ACEMME
Benazeprilat SCHEMBL7426442 0.80 ACE (1.00) ACEABCB11AGTR2PDE3ATDP1

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 7 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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 (5 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ACE 6/4885MME 97/4885ABCB11 2118/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ACE 16/4885MME 279/4885ABCB11 3906/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ACE 19/4885MME 327/4885ABCB11 3976/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ACE 6/4885MME 97/4885ABCB11 2118/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 ACE 6/4885MME 97/4885ABCB11 2118/4885

“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.