SCHEMBL4404002

SCHEMBL4404002

CC(C)CC1NC(=O)[C@H](CS)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 3/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
GHSR Q92847 3/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14952860 1.00 MEN1 (0.37) MEN1KMT2AGAALMNACYP3A4
SCHEMBL163425 0.91 MEN1 (0.41) MEN1KMT2AGAALMNACYP3A4
SCHEMBL2867325 0.91 MEN1 (0.41) MEN1KMT2AGAALMNACYP3A4
SCHEMBL14952771 0.81 MEN1 (0.36) MEN1KMT2AGAALMNACYP3A4
SCHEMBL13033905 0.81 SOAT1 (0.40) MEN1KMT2AGAALMNACYP3A4
SCHEMBL30415527 0.81 SOAT1 (0.40) MEN1KMT2AGAALMNACYP3A4
SCHEMBL14671246 0.81 MMP1 (0.35)
SCHEMBL10131087 0.81 MMP1 (0.35)
SCHEMBL2869111 0.79 HRH3 (0.39) MEN1KMT2AALDH1A1MAPT
SCHEMBL30038822 0.79 HRH3 (0.39) MEN1KMT2AALDH1A1MAPT

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 3 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-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 MEN1 4230/4885KMT2A 951/4885GAA 2142/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH MEN1 3834/4885KMT2A 1363/4885GAA 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.