SCHEMBL12019153

SCHEMBL12019153

CC(=O)[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(C)=O)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
CRHBP P24387 1/20 0.51
KMT2A Q03164 1/20 0.51
CRHR2 Q13324 1/20 0.51
CTSL P07711 6/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NPC1 O15118 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44

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
SCHEMBL12019140 0.89 CYP26A1 (0.47) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL1768156 0.86 ACE (0.51) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL2419579 0.86 ACE (0.51) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL6411060 0.86 ACE (0.51) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL12019166 0.86 GPR139 (0.47) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL18803701 0.84 CA2 (0.51) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL30843763 0.84 GAA (0.53) ALDH1A1KMT2ACTSLRAB9ALMNA
SCHEMBL10131060 0.81 CYP26A1 (0.51) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL7371458 0.81 PDE4A (0.50) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL5727358 0.81 ALDH1A1 (0.46) ALDH1A1MEN1CRHBPKMT2ACRHR2

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-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

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-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS ALDH1A1 639/4885MEN1 4230/4885CRHBP 936/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH ALDH1A1 358/4885MEN1 3834/4885CRHBP 861/4885

“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.