SCHEMBL4405159

SCHEMBL4405159

COC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)OC)NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.48
CTSS P25774 7/20 0.48
CTSB P07858 6/20 0.48
CTSK P43235 5/20 0.48
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL4402028 0.95 CTSL (0.44) CTSLCTSSCTSBCTSKMEN1
SCHEMBL10131069 0.89 HDAC3 (0.48) CTSLCTSSCTSBCTSKMEN1
SCHEMBL10131045 0.89 CTSL (0.45) CTSLCTSSCTSBCTSK
SCHEMBL4402043 0.89 CYP1A2 (0.51) CTSLCTSSCTSBCTSKMEN1
SCHEMBL10073683 0.86 CTSL (0.49) CTSLCTSSCTSBCTSKMEN1
SCHEMBL15764484 0.85 CTSL (0.49) CTSLCTSSCTSBCTSK
SCHEMBL30843763 0.80 GAA (0.53) CTSLALDH1A1KMT2A
SCHEMBL12019155 0.80 CTSL (0.44) CTSLCTSSCTSBCTSKMEN1
SCHEMBL12020041 0.79 CTSL (0.43) CTSLCTSSCTSBCTSKMEN1
SCHEMBL7793390 0.77 KMT2A (0.57) CTSLCTSSCTSKALDH1A1KMT2A

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-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2015-06-25 US disclosed
US-8962692-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-02-24 US disclosed
US-8173809-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2012-05-08 US disclosed
US-20090281109-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY 2009-11-12 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-20090281109-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS CTSL 544/4885CTSS 130/4885CTSB 404/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH CTSL 671/4885CTSS 241/4885CTSB 858/4885

“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.