SCHEMBL3701017

SCHEMBL3701017

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(CSC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.57
CTSK P43235 5/20 0.57
CTSL P07711 4/20 0.57
CTSB P07858 4/20 0.57
REN P00797 2/20 0.52
AKT1 P31749 1/20 0.51
ACE P12821 1/20 0.50
BCL2 P10415 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL7611426 1.00 CTSS (0.57) CTSSCTSKCTSLCTSBREN
SCHEMBL7620073 0.92 CTSS (0.57) CTSSCTSKCTSLCTSBREN
SCHEMBL3699589 0.92 CTSS (0.57) CTSSCTSKCTSLCTSBREN
SCHEMBL27487988 0.90 CTSS (0.65) CTSSCTSKCTSLCTSBREN
SCHEMBL27487987 0.90 CTSS (0.65) CTSSCTSKCTSLCTSBREN
SCHEMBL3821800 0.90 CTSS (0.65) CTSSCTSKCTSLCTSBREN
SCHEMBL12294436 0.87 CTSS (0.61) CTSSCTSKCTSLCTSBREN
SCHEMBL3701471 0.87 BACE1 (0.49) CTSSPPARGPPARA
SCHEMBL7622853 0.87 BACE1 (0.49) CTSSPPARGPPARA
SCHEMBL7615303 0.86 ACE (0.56) CTSSCTSKCTSLCTSBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8624052-B2 S-t-butyl protected cysteine di-peptide analogs and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
EP-2638005-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
WO-2012065102-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-17 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-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP CTSS 115/4885CTSK 398/4885CTSL 112/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP CTSS 115/4885CTSK 398/4885CTSL 112/4885

“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.