SCHEMBL10131087

SCHEMBL10131087

O=C1N[C@H](CS)C(=O)N[C@H]1CS

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.35
MMP9 P14780 5/20 0.35
MMP3 P08254 3/20 0.35
MMP7 P09237 2/20 0.35
CAD P27708 1/20 0.31

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
SCHEMBL14671246 1.00 MMP1 (0.35) MMP1MMP9MMP3MMP7CAD
SCHEMBL4401202 0.87 MMP1 (0.33) MMP1MMP9MMP3MMP7
SCHEMBL4404117 0.84 TSHR (0.41) MMP1MMP9MMP3MMP7
SCHEMBL2672815 0.78 MMP1 (0.51) MMP1MMP9MMP3
SCHEMBL4408365 0.76 KEAP1 (0.33)
SCHEMBL25456032 0.74 GAA (0.46)
SCHEMBL13637393 0.74 KDM4E (0.39)
SCHEMBL12334338 0.72 HRH3 (0.38)
SCHEMBL25449261 0.67 ALDH1A1 (0.40) MMP1MMP9MMP3
SCHEMBL1147066 0.67 PARP1 (0.33)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133141-B2 Cysteine and cystine bioisosteres to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-09-15 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-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-20140155440-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2014-06-05 US disclosed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
US-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2010-02-25 US disclosed
US-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2010-02-25 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 (4 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-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR GRM6, GRM5, GRM7 MMP1 3930/4885MMP9 3309/4885MMP3 2317/4885
US-20140155440-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 MMP1 4269/4885MMP9 4578/4885MMP3 4280/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH MMP1 3821/4885MMP9 3990/4885MMP3 3768/4885
US-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 MMP1 4269/4885MMP9 4578/4885MMP3 4280/4885

“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.