SCHEMBL15764465

SCHEMBL15764465

CC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.43
DNMT1 P26358 1/20 0.40

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
SCHEMBL15764472 0.85 ALDH1A1 (0.45) KIF11
SCHEMBL15764481 0.79 ALDH1A1 (0.32)
SCHEMBL15764466 0.79 ALDH1A1 (0.32)
SCHEMBL4457146 0.74
SCHEMBL4457143 0.74
SCHEMBL2546539 0.73 KIF11 (0.54) KIF11DNMT1
SCHEMBL29400681 0.73 KIF11 (0.54) KIF11DNMT1
SCHEMBL5967574 0.73 KIF11 (0.54) KIF11DNMT1
SCHEMBL4455551 0.71 KDM4E (0.38)
SCHEMBL4455547 0.71 KDM4E (0.38)

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-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

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 KIF11 4028/4885DNMT1 2322/4885

“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.