SCHEMBL7620073

SCHEMBL7620073

CCOC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.57
CTSK P43235 3/20 0.57
CTSL P07711 3/20 0.57
CTSB P07858 3/20 0.57
REN P00797 3/20 0.52
AKT1 P31749 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
ACE P12821 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
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
SCHEMBL3699589 1.00 CTSS (0.57) CTSSCTSKCTSLCTSBREN
SCHEMBL7611426 0.92 CTSS (0.57) CTSSCTSKCTSLCTSBREN
SCHEMBL3701017 0.92 CTSS (0.57) CTSSCTSKCTSLCTSBREN
SCHEMBL10466613 0.92 CTSS (0.59) CTSSCTSKCTSLCTSBREN
SCHEMBL7617954 0.87 PSMB5 (0.50) CTSLCTSBRENCYP2C9CYP2C19
SCHEMBL3701701 0.87 PSMB5 (0.50) CTSLCTSBRENCYP2C9CYP2C19
SCHEMBL5020124 0.86 CTSL (0.53) CTSSCTSKCTSL
SCHEMBL3700091 0.86 CTSL (0.53) CTSSCTSKCTSL
SCHEMBL1273042 0.85 CTSS (0.64) CTSSCTSKCTSLCTSBAKT1
SCHEMBL12122453 0.85 CTSS (0.64) CTSSCTSKCTSLCTSBAKT1

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-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
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.