SCHEMBL13489686

SCHEMBL13489686

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
HSD17B10 Q99714 3/20 0.43
CTSK P43235 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 4/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 4/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL13489680 0.88 CTSK (0.43) KMT2AHSD17B10CTSKALDH1A1HTT
SCHEMBL15764475 0.87 TSHR (0.40) KMT2AHSD17B10CTSKALDH1A1HTT
SCHEMBL13489685 0.86 HSD17B10 (0.43) KMT2AHSD17B10CTSKALDH1A1HTT
SCHEMBL13489726 0.82 MEN1 (0.43) KMT2AHSD17B10ALDH1A1HTTMEN1
SCHEMBL15762010 0.78 HSD17B10 (0.40) KMT2AHSD17B10ALDH1A1HTTMEN1
SCHEMBL8869239 0.78 ALDH1A1 (0.40) KMT2AHSD17B10ALDH1A1HTTMEN1
SCHEMBL9225777 0.78 ALDH1A1 (0.40) KMT2AHSD17B10ALDH1A1HTTMEN1
SCHEMBL8869251 0.78 ALDH1A1 (0.40) KMT2AHSD17B10ALDH1A1HTTMEN1
SCHEMBL15762030 0.76 AAK1 (0.34) KMT2AHSD17B10CTSKALDH1A1HTT
SCHEMBL24595387 0.75 HTT (0.47) KMT2AHSD17B10CTSKALDH1A1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 KMT2A 1850/4885HSD17B10 1403/4885CTSK 669/4885

“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.