SCHEMBL7617954

SCHEMBL7617954

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.50
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TP53 P04637 1/20 0.46
MMP8 P22894 1/20 0.44
NOD2 Q9HC29 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
REN P00797 1/20 0.42

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
SCHEMBL3701701 1.00 PSMB5 (0.50) PSMB5CTSLCTSBTP53MMP8
SCHEMBL3700091 0.88 CTSL (0.53) PSMB5CTSLTACR1
SCHEMBL5020124 0.88 CTSL (0.53) PSMB5CTSLTACR1
SCHEMBL7620073 0.87 CTSS (0.57) CTSLCTSBALDH1A1CYP2C9CYP2C19
SCHEMBL3699589 0.87 CTSS (0.57) CTSLCTSBALDH1A1CYP2C9CYP2C19
SCHEMBL7613852 0.84 OPRK1 (0.47) CTSLCTSBMMP8TACR1
SCHEMBL3698303 0.84 OPRK1 (0.47) CTSLCTSBMMP8TACR1
SCHEMBL3697165 0.84 TACR1 (0.44) PSMB5CTSLCTSBKMT2ATACR1
SCHEMBL5020063 0.84 TACR1 (0.44) PSMB5CTSLCTSBKMT2ATACR1
SCHEMBL7615217 0.83 PSMB5 (0.48) PSMB5CTSBTP53HDAC3HDAC4

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 PSMB5 1294/4885CTSL 112/4885CTSB 94/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP PSMB5 1294/4885CTSL 112/4885CTSB 94/4885

“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.