SCHEMBL5020124

SCHEMBL5020124

CCOC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.53
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
PSMB5 P28074 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TACR1 P25103 1/20 0.47
CTSG P08311 1/20 0.47

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
SCHEMBL3700091 1.00 CTSL (0.53) CTSLCTSSCTSKGAARAB9A
SCHEMBL7615303 0.92 ACE (0.56) CTSLCTSSCTSKPSMB5TACR1
SCHEMBL3696924 0.92 ACE (0.56) CTSLCTSSCTSKPSMB5TACR1
SCHEMBL3692412 0.90 RAB9A (0.48) CTSLGAARAB9ACTSG
SCHEMBL7610226 0.90 RAB9A (0.48) CTSLGAARAB9ACTSG
SCHEMBL7617954 0.88 PSMB5 (0.50) CTSLPSMB5TACR1
SCHEMBL3701701 0.88 PSMB5 (0.50) CTSLPSMB5TACR1
SCHEMBL7620073 0.86 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL3699589 0.86 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL5020122 0.84 KMT2A (0.45) RAB9AL3MBTL1CTSG

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 4 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
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 CTSL 112/4885CTSS 115/4885CTSK 398/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP CTSL 112/4885CTSS 115/4885CTSK 398/4885

“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.