SCHEMBL7417962

SCHEMBL7417962

CC(C)C[C@H](NC(=O)Cc1ccccc1Oc1ccccc1)C(=O)OC(=O)CCC(=O)C(N)OP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.38
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
P2RY10 O00398 1/20 0.34
KCNA5 P22460 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
ANPEP P15144 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL6830897 0.88 FNTA (0.40) MMEACECPA1ACE2TDP1
SCHEMBL7417959 0.76 BCL2L1 (0.41) BCL2L1MMEACECPA1ACE2
SCHEMBL6832903 0.73 KCNA5 (0.39) MMEACECPA1ACE2KCNA5
SCHEMBL5497139 0.72 CASP3 (0.53) BCL2L1MMEACECPA1ACE2
SCHEMBL7418208 0.68 LMNA (0.52) TDP1MAPTNPSR1
SCHEMBL27544012 0.66 ALDH1A1 (0.42) ACETDP1POLBMAPT
SCHEMBL6830895 0.63 CASP3 (0.43) KCNA5FNTAFNTBPGGT1B
SCHEMBL27479282 0.63 POLB (0.48) MMEACECPA1ACE2TDP1
SCHEMBL8116353 0.62 HRH1 (0.51) TDP1POLB
SCHEMBL1685874 0.62 CXCL8 (0.51) TDP1POLB

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-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US disclosed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO 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-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 BCL2L1 113/4885MME 170/4885ACE 209/4885

“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.