SCHEMBL13637393

SCHEMBL13637393

CC[C@H](C)C1NC(=O)[C@H](CS)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SRC P12931 2/20 0.37
GHSR Q92847 3/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SOAT1 P35610 1/20 0.35
OXTR P30559 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL29717170 0.86 KDM4E (0.47) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL16500668 0.86 KDM4E (0.47) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6466586 0.86 KDM4E (0.47) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL17867100 0.84 KDM4E (0.38) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30819201 0.84 KDM4E (0.38) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29375137 0.84 KDM4E (0.38) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2672144 0.82 HRH3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4402045 0.82 HRH3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13784337 0.81 SOAT1 (0.43) KDM4EGHSRSOAT1
SCHEMBL17867144 0.80 KDM4E (0.43) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19

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 2 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-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 KDM4E 2359/4885ALDH1A1 639/4885CYP3A4 265/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH KDM4E 2854/4885ALDH1A1 358/4885CYP3A4 269/4885

“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.