SCHEMBL13489685

SCHEMBL13489685

CSC[C@H](NC(=O)OC(C)(C)C)c1nc(C)no1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 6/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
CTSK P43235 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8869239 0.92 ALDH1A1 (0.40) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL8869251 0.92 ALDH1A1 (0.40) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL9225777 0.92 ALDH1A1 (0.40) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL15762010 0.92 HSD17B10 (0.40) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL4700130 0.87 TP53 (0.38) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL8869476 0.87 TP53 (0.38) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL13489686 0.86 KMT2A (0.44) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL5960981 0.81 ALDH1A1 (0.59) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL7222255 0.81 ALDH1A1 (0.59) HSD17B10ALDH1A1KMT2AMEN1LMNA
SCHEMBL21048449 0.81 KMT2A (0.52) HSD17B10ALDH1A1KMT2AMEN1LMNA

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-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-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2010-02-25 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-20140155440-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 HSD17B10 1403/4885ALDH1A1 1007/4885KMT2A 1850/4885
US-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 HSD17B10 1403/4885ALDH1A1 1007/4885KMT2A 1850/4885

“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.