SCHEMBL13489703

SCHEMBL13489703

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nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSS P25774 7/20 0.40
CTSK P43235 6/20 0.40
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL15762019 0.86 CTSK (0.52) CTSSCTSKCTSLCTSBCA1
SCHEMBL23052291 0.83 CTSS (0.55) MAPTCTSSCTSKCTSLCTSB
SCHEMBL12572526 0.81 SMN1; SMN2 (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4402164 0.81 CYP1A2 (0.38) MAPTCTSSCTSKCTSLCTSB
SCHEMBL28544565 0.80 CTSS (0.50) CTSSCTSKCTSLCTSBCA2
SCHEMBL28544563 0.80 CTSS (0.50) CTSSCTSKCTSLCTSBCA2
SCHEMBL13869526 0.79 PTGS1 (0.57) CTSSCTSKPTGS1GSTK1FNTA
SCHEMBL16501102 0.79 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929412 0.79 SMN1; SMN2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17928933 0.78 MAPT (0.35) MAPTCTSSCTSKPTGS1GSTK1

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 6 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
US-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2010-02-25 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 KDM4E 3841/4885MAPT 2979/4885THRB 2452/4885
US-20100048587-A1 CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, CBS, SLC7A11 KDM4E 3841/4885MAPT 2979/4885THRB 2452/4885

“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.