SCHEMBL13618939

SCHEMBL13618939

CC(C)(C)OC(=O)N[C@@H](CS)c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 4/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13489710 1.00 CA1 (0.40) CA1CA2CA7HTTKMT2A
SCHEMBL13618938 0.85
SCHEMBL13619134 0.85 ALDH1A1 (0.41) CA1CA2CA7HTTKMT2A
SCHEMBL15764467 0.85 HSD17B10 (0.44) CA1CA2CA7HTTKMT2A
SCHEMBL13619136 0.85 ALDH1A1 (0.41) CA1CA2CA7HTTKMT2A
SCHEMBL15558022 0.84 HSD17B10 (0.43) CA1CA2CA7HTTKMT2A
SCHEMBL26302740 0.84 HSD17B10 (0.43) CA1CA2CA7HTTKMT2A
SCHEMBL15598084 0.83 CA1 (0.38) CA1CA2CA7HTTKMT2A
SCHEMBL16822817 0.83 CA1 (0.38) CA1CA2CA7HTTKMT2A
SCHEMBL15558416 0.83 CTSS (0.41) CA1CA2CA7HTTCTSK

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 5 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-9133141-B2 Cysteine and cystine bioisosteres to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-09-15 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-20140155440-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2014-06-05 US disclosed
WO-2009137251-A2 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2009-11-12 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 (1 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-20140155440-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 CA1 1760/4885CA2 3051/4885CA7 2705/4885

“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.