SCHEMBL12019140

SCHEMBL12019140

CCOC(=O)[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(C)=O)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.47
CTSL P07711 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 2/20 0.43
P2RY12 Q9H244 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42

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
SCHEMBL10131060 0.95 CYP26A1 (0.51) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL12020054 0.91 CYP26A1 (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL12019153 0.89 ALDH1A1 (0.51) CTSLRAB9AMEN1KMT2AALDH1A1
SCHEMBL30843763 0.83 GAA (0.53) CYP26A1CTSLRAB9AGAAKMT2A
SCHEMBL2673046 0.83 CYP26A1 (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL28338111 0.83 CYP26A1 (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL14671278 0.82 GAA (0.47) CYP26A1CTSLRAB9AGAAP2RY12
SCHEMBL29188972 0.82 CYP26A1 (0.54) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL3692412 0.82 RAB9A (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL7610226 0.82 RAB9A (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA

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-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 (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-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS CYP26A1 960/4885CTSL 544/4885SMN1; SMN2 4736/4885

“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.