SCHEMBL12019166

SCHEMBL12019166

CC(=O)[C@H](CSC(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CTSL P07711 4/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 1/20 0.42
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL10942540 0.88 PTPN1 (0.50) GPR139CTSLCTSSCTSKCTSB
SCHEMBL10805856 0.88 PTPN1 (0.50) GPR139CTSLCTSSCTSKCTSB
SCHEMBL28330860 0.86 ALDH1A1 (0.47) GPR139ALDH1A1KMT2AMEN1CRHBP
SCHEMBL28330861 0.86 ALDH1A1 (0.47) GPR139ALDH1A1KMT2AMEN1CRHBP
SCHEMBL12019153 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL10131064 0.85 GAA (0.50) GPR139ALDH1A1KMT2ACTSLRAB9A
SCHEMBL2673046 0.83 CYP26A1 (0.48) GPR139ALDH1A1KMT2AMEN1CTSL
SCHEMBL10943027 0.82 CTSL (0.45) GPR139ALDH1A1CTSLCTSSCTSK
SCHEMBL10939768 0.82 CTSL (0.45) GPR139ALDH1A1CTSLCTSSCTSK
SCHEMBL10943036 0.82 CTSL (0.45) GPR139ALDH1A1CTSLCTSSCTSK

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-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2015-06-25 US disclosed
US-8962692-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-02-24 US disclosed
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS UWM RESEARCH FOUNDATION, INC. (US) 2012-08-30 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-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS GPR139 774/4885ALDH1A1 639/4885KMT2A 951/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH GPR139 355/4885ALDH1A1 358/4885KMT2A 1363/4885

“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.