SCHEMBL5494468

SCHEMBL5494468

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC(C)(C)C)C(O)CF

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.51
REN P00797 4/20 0.49
CASP3 P42574 2/20 0.48
KLK5 Q9Y337 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
SYK P43405 1/20 0.45

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
SCHEMBL4426250 0.88 CASP3 (0.58) CTSDRENCASP3CASP1CASP7
SCHEMBL5174682 0.87 REN (0.39) CTSDRENKLK5
SCHEMBL27564532 0.87 CTSK (0.59) RENCTSLCTSS
SCHEMBL625910 0.84 CTSD (0.44) CTSDRENCASP3KLK5CASP6
SCHEMBL10073352 0.84 CTSD (0.44) CTSDRENCASP3KLK5CASP6
SCHEMBL4434235 0.84 CTSD (0.44) CTSDRENCASP3KLK5CASP6
SCHEMBL14269200 0.83 SYK (0.52) KLK5CASP1CTSLCTSSSYK
SCHEMBL8414721 0.82 CASP3 (0.52) CTSDRENCASP3KLK5CTSL
SCHEMBL5493054 0.81 CASP3 (0.58) CTSDCASP3CASP1CASP7CASP9
SCHEMBL5174687 0.81 SYK (0.42) KLK5CTSSSYK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157430-B2 (Substituted)acyl dipeptidyl inhibitors of the ICE/CED-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-6949516-B2 Dipeptide apoptosis inhibitors and the use thereof CYTOVIA, INC. (US) 2005-09-27 US disclosed
US-20050192231-A1 Dipeptide apoptosis inhibitors and the use thereof KEANA JOHN F (US) 2005-09-01 US disclosed
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-12-23 US disclosed
EP-1033910-A4 DIPEPTIDE APOPTOSIS INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2004-11-24 EP disclosed
US-20030181391-A1 Dipeptide apoptosis inhibitors and the use thereof CYTOVIA, INC. 2003-09-25 US disclosed
US-6596693-B1 Reduce or prevent premature death of cells of the immune system, cardiovascular system, nervous system etc. CYTOVIA, INC. 2003-07-22 US disclosed
CN-1313846-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases IDUN PHARMACEUTICALS INC (US) 2001-09-19 CN disclosed
US-6184210-B1 DIPEPTIDE-BASED CASPASE (PROTEOLYTIC FAMILY OF CYSTEINE PROTEASES WHOSE ACTIVE SITE CYSTEINE RESIDUE IS ESSENTIAL FOR ICE-MEDIATED APOPTOSIS) INHIBITORS OF GIVEN FORMULA ARE POTENT INHIBITORS OF APOPTOSIS CYTOVIA, INC. 2001-02-06 US disclosed
EP-1033910-A1 DIPEPTIDE APOPTOSIS INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2000-09-13 EP disclosed
WO-1999018781-A1 DIPEPTIDE APOPTOSIS INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 1999-04-22 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 (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-20030181391-A1 Dipeptide apoptosis inhibitors and the use thereof API5, CASP3, APAF1 CTSD 1206/4885REN 396/4885CASP3 2/4885
US-20050192231-A1 Dipeptide apoptosis inhibitors and the use thereof API5, CASP3, BAD CTSD 955/4885REN 679/4885CASP3 2/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CTSD 145/4885REN 2079/4885CASP3 3/4885

“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.