SCHEMBL4402192

SCHEMBL4402192

O=C1N[C@H](Cc2ccccc2)C(=O)N[C@H]1CSSC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G5 P39877 1/20 0.43
CYP2C9 P11712 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CA2 P00918 1/20 0.40
MAOB P27338 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL2672473 1.00 HDAC8 (0.47) HDAC8HRH3GAACYP3A4CYP2C19
SCHEMBL18751777 0.88 HDAC8 (0.56) HDAC8HRH3GAACYP3A4CYP2C19
SCHEMBL13399577 0.88 HDAC8 (0.56) HDAC8HRH3GAACYP3A4CYP2C19
SCHEMBL1405670 0.88 HDAC8 (0.56) HDAC8HRH3GAACYP3A4CYP2C19
SCHEMBL1226583 0.88 HDAC8 (0.56) HDAC8HRH3GAACYP3A4CYP2C19
SCHEMBL10283637 0.88 HDAC8 (0.56) HDAC8HRH3GAACYP3A4CYP2C19
SCHEMBL4404121 0.87 HDAC8 (0.48) HDAC8HRH3TACR2
SCHEMBL4402175 0.87 HDAC8 (0.48) HDAC8HRH3TACR2
SCHEMBL10467251 0.86 HDAC8 (0.45) HDAC8HRH3GAACYP3A4CYP2C19
SCHEMBL4410681 0.81 MMP1 (0.51) HDAC8HRH3GAACYP3A4CYP2C19

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 13 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-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-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 (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 HDAC8 1519/4885HRH3 921/4885GAA 3387/4885
US-20090281109-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS HDAC8 2316/4885HRH3 1934/4885GAA 2142/4885
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS HDAC8 2316/4885HRH3 1934/4885GAA 2142/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH HDAC8 2440/4885HRH3 2717/4885GAA 2585/4885

“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.