SCHEMBL4404121

SCHEMBL4404121

O=C1CNC(=O)[C@H](CSSC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC2=O)N1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.48
TACR2 P21452 5/20 0.46
HRH3 Q9Y5N1 2/20 0.46
GHSR Q92847 2/20 0.45
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
ITGAV P06756 1/20 0.45
CTSD P07339 1/20 0.44
CXCR4 P61073 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 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
SCHEMBL4402175 1.00 HDAC8 (0.48) HDAC8TACR2HRH3GHSRITGB3
SCHEMBL7304234 0.90 HDAC8 (0.57) HDAC8TACR2HRH3GHSRITGB3
SCHEMBL1673516 0.90 HDAC8 (0.57) HDAC8TACR2HRH3GHSRITGB3
SCHEMBL1598687 0.90 HDAC8 (0.57) HDAC8TACR2HRH3GHSRITGB3
SCHEMBL12148795 0.87 HDAC8 (0.54) HDAC8TACR2HRH3GHSRITGB3
SCHEMBL8135311 0.87 HDAC8 (0.54) HDAC8TACR2HRH3GHSRITGB3
SCHEMBL4402192 0.87 HDAC8 (0.47) HDAC8TACR2HRH3
SCHEMBL2672473 0.87 HDAC8 (0.47) HDAC8TACR2HRH3
Acetic Acid SCHEMBL27525272 0.83 OPRM1 (0.51) HDAC8HRH3GHSRITGB3ITGA2B
SCHEMBL12334337 0.82 HRH3 (0.36) HDAC8HRH3ITGB3ITGA2BITGAV

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 11 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-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-8962692-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-02-24 US disclosed
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS UWM RESEARCH FOUNDATION, INC. (US) 2012-08-30 US disclosed
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS UWM RESEARCH FOUNDATION, INC. (US) 2012-08-30 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-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
US-20090281109-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY 2009-11-12 US disclosed
WO-2009100431-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2009-08-13 WO 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 (3 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 HDAC8 2316/4885TACR2 26/4885HRH3 1934/4885
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS HDAC8 2316/4885TACR2 26/4885HRH3 1934/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH HDAC8 2440/4885TACR2 25/4885HRH3 2717/4885

“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.